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CAS 1196151-81-1 4-Methyloxazole-2-carboxylic acid molecular structure lightbox
CAS RN: 1196151-81-1

4-Methyloxazole-2-carboxylic acid

  • Product code: SSC-020196
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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 1196151-81-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1196151-81-1 / 4-methyl-1,3-oxazole-2-carboxylic acid

4-methyloxazole-2-carboxylic acid | 4-METHYL-1,3-OXAZOLE-2-CARBOXYLIC ACID | 4-Methyl-oxazole-2-carboxylic acid

Standard CAS: 1196151-81-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1196151-81-1
Multi CAS
Yes
Molecular Formula
C5H5NO3
Molecular Weight
127.100000
Exact Mass
127.026943
SMILES
CC1=COC(=N1)C(=O)O
InChI
InChI=1S/C5H5NO3/c1-3-2-9-4(6-3)5(7)8/h2H,1H3,(H,7,8)
InChIKey
DQNBHCVJLBBYRW-UHFFFAOYSA-N
Synonyms
4-methyloxazole-2-carboxylic acid 4-METHYL-1,3-OXAZOLE-2-CARBOXYLIC ACID 4-Methyl-oxazole-2-carboxylic acid MFCD11870842 SCHEMBL21695345

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
28.2
TPSA
63.33

LogP / Solubility

WLOGP
0.68
MLOGP
0.59
XLogP3
0.6
Consensus LogP
0.62
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.17
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)
-3.01

Drug-likeness / Medicinal Chemistry

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

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