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CAS 1199-02-6 1,3,4-OXADIAZOL-2(3H)-ONE, 5-PHENYL- molecular structure lightbox
CAS RN: 1199-02-6

1,3,4-OXADIAZOL-2(3H)-ONE, 5-PHENYL-

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251130 10g In stock Shanghai Inquiry
Batchno.20250821 1g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250912 250mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250820 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-020678
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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: 1g
  • 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 1199-02-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1199-02-6 / 5-phenyl-3H-1,3,4-oxadiazol-2-one

delta(sup 2)-1,3,4-OXADIAZOLIN-5-ONE, 2-PHENYL- | RefChem:1083096 | NSC 525342

Standard CAS: 1199-02-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1199-02-6
Multi CAS
Yes
Molecular Formula
C8H6N2O2
Molecular Weight
162.150000
Exact Mass
162.042927
SMILES
C1=CC=C(C=C1)C2=NNC(=O)O2
InChI
InChI=1S/C8H6N2O2/c11-8-10-9-7(12-8)6-4-2-1-3-5-6/h1-5H,(H,10,11)
InChIKey
RFJQGIYJJLWZJP-UHFFFAOYSA-N
Synonyms
delta(sup 2)-1,3,4-OXADIAZOLIN-5-ONE, 2-PHENYL- RefChem:1083096 NSC 525342 2-phenyl-2H-1,3,4-oxadiazol-5-one 2-Phenyl-delta(sup 2)-1,3,4-oxadiazolin-5-one

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.56
TPSA
58.89

LogP / Solubility

WLOGP
1.03
MLOGP
0.9
XLogP3
1.4
Consensus LogP
1.11
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
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)
-2.98

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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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