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CAS 1003-52-7 4-METHYL-1,3-OXAZOLE-5-CARBONITRILE molecular structure lightbox
CAS RN: 1003-52-7

4-METHYL-1,3-OXAZOLE-5-CARBONITRILE

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251214 100mg / 1g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250901 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260516 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250725 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260610 5g Out of stock Inquiry
  • Product code: SSC-000760
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1003-52-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1003-52-7 / 4-methyl-1,3-oxazole-5-carbonitrile

4-Methyloxazole-5-carbonitrile | 5-Cyano-4-methyloxazole | EINECS 213-709-7

Standard CAS: 1003-52-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1003-52-7
Multi CAS
Yes
Molecular Formula
C5H4N2O
Molecular Weight
108.100000
Exact Mass
108.032363
SMILES
CC1=C(OC=N1)C#N
InChI
InChI=1S/C5H4N2O/c1-4-5(2-6)8-3-7-4/h3H,1H3
InChIKey
JZSLPQXOLZCAME-UHFFFAOYSA-N
Synonyms
4-Methyloxazole-5-carbonitrile 5-Cyano-4-methyloxazole EINECS 213-709-7 DTXSID90143117 EC 213-709-7

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.2
H-bond acceptors
3
Molar refractivity
25.95
TPSA
49.82

LogP / Solubility

WLOGP
0.85
MLOGP
0.74
XLogP3
0.8
Consensus LogP
0.8
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.07
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Flammable Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H226 (33.3%): Flammable liquid and vapor [Warning Flammable liquids] H227 (33.3%): Combustible liquid [Warning Flammable liquids] H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (33.3%): Toxic in contact with skin [Danger Acute toxicity, dermal]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501

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