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CAS 1120-64-5 2-Methyl-2-oxazoline molecular structure lightbox
CAS RN: 1120-64-5

2-Methyl-2-oxazoline

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8 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260122 100g In stock Shanghai, Shenzhen Inquiry
Batchno.20260114 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251112 25g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260114 500g In stock Shanghai, Shenzhen Inquiry
Batchno.20251102 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251104 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260303 5g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251210 5g / 25g / 100g Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: ICTM0857
  • Purity/Analytical Methods: >98.0%(GC)
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1120-64-5 / 2-methyl-4,5-dihydro-1,3-oxazole

2-Methyl-2-oxazoline | 2-Methyl-4,5-dihydro-1,3-oxazole | CHEBI:53614

Standard CAS: 1120-64-5 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1120-64-5
Multi CAS
No
Molecular Formula
C4H7NO
Molecular Weight
85.100000
Exact Mass
85.052764
SMILES
CC1=NCCO1
InChI
InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3
InChIKey
GUXJXWKCUUWCLX-UHFFFAOYSA-N
Synonyms
2-Methyl-2-oxazoline 2-Methyl-4,5-dihydro-1,3-oxazole CHEBI:53614 DTXSID40870845 RefChem:475175

Physical Properties

Physical Description
Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.75
H-bond acceptors
2
Molar refractivity
23.93
TPSA
21.59

LogP / Solubility

WLOGP
0.44
MLOGP
0.37
XLogP3
-0.2
Consensus LogP
0.2
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-0.57
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.57
Class (SILICOS-IT)
Very 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)
-2.93

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
Signal
Danger
GHS Hazard Statements
H225 (97.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

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