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CAS 1097817-28-1 5-Methyl-1,2-oxazole-4-carboxamide molecular structure lightbox
CAS RN: 1097817-28-1

5-Methyl-1,2-oxazole-4-carboxamide

  • Product code: SSC-011100
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 0.1g, 0.25g
  • Available purity: ≥97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1097817-28-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Shanghai Inquiry
5g ≥97% 5 In Stock Beijing Inquiry
10g ≥97% 4 In Stock Beijing Inquiry
0.1g ≥97% 1 In Stock Shenzhen Inquiry
0.25g ≥97% 1 In Stock Hong Kong Inquiry

1097817-28-1 / 5-methyl-1,2-oxazole-4-carboxamide

5-methylisoxazole-4-carboxamide | MFCD11643943 | 5-methyl-1,2-oxazole-4-carboxamide

Standard CAS: 1097817-28-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1097817-28-1
Multi CAS
No
Molecular Formula
C5H6N2O2
Molecular Weight
126.110000
Exact Mass
126.042927
SMILES
CC1=C(C=NO1)C(=O)N
InChI
InChI=1S/C5H6N2O2/c1-3-4(5(6)8)2-7-9-3/h2H,1H3,(H2,6,8)
InChIKey
RRGRQQFUASVDPO-UHFFFAOYSA-N
Synonyms
5-methylisoxazole-4-carboxamide MFCD11643943 5-methyl-1,2-oxazole-4-carboxamide SCHEMBL1374652 SCHEMBL1374655

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
29.76
TPSA
69.12

LogP / Solubility

WLOGP
0.08
MLOGP
0.06
XLogP3
-0.4
Consensus LogP
-0.09
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-0.65
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.67
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)
-3.43

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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