4-methyl-N-(2-oxoethyl)-1,2-oxazole-3-carboxamide

C7H8N2O3 — CID 178028461

IUPAC4-methyl-N-(2-oxoethyl)-1,2-oxazole-3-carboxamide
SMILESCc1conc1C(=O)NCC=O
InChIInChI=1S/C7H8N2O3/c1-5-4-12-9-6(5)7(11)8-2-3-10/h3-4H,2H2,1H3,(H,8,11)
InChIKeyKXASVZQVTHOJTO-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.09
Rot. Bonds3

About 4-methyl-N-(2-oxoethyl)-1,2-oxazole-3-carboxamide

4-methyl-N-(2-oxoethyl)-1,2-oxazole-3-carboxamide (PubChem CID 178028461) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 4-methyl-N-(2-oxoethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-oxoethyl)-1,2-oxazole-3-carboxamide
PubChem CID178028461
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name4-methyl-N-(2-oxoethyl)-1,2-oxazole-3-carboxamide
SMILESCc1conc1C(=O)NCC=O
InChIInChI=1S/C7H8N2O3/c1-5-4-12-9-6(5)7(11)8-2-3-10/h3-4H,2H2,1H3,(H,8,11)
InChIKeyKXASVZQVTHOJTO-UHFFFAOYSA-N
XLogP-0.09
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-4-methyl-1,2-oxazole-3-carboxamide
CID 83617532
N,N,4-trimethyl-1,2-oxazole-3-carboxamide
CID 154265321
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2-oxazole-3-carboxamide
CID 110851669
(2S,3R)-3-hydroxy-2-[(4-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 118608164
N-(2,5-dichlorophenyl)-4-methyl-1,2-oxazole-3-carboxamide
CID 110864101
1-chloro-2-methylbenzene;5,5-difluoro-1-[2-methoxy-1-[2-(methylamino)-4-pyridinyl]ethyl]-1,3-diazinan-2-one;4-methyl-N-(2-oxoethyl)-1,2-oxazole-3-carboxamide
CID 178028460
(Z)-3-amino-2-formyl-N-methyl-3-(4-methyl-1,2-oxazol-3-yl)prop-2-enimidoyl chloride
CID 166083483
3-[benzyl-(4-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 136556162
4-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 110860342
1-methyl-N-(2-oxoethyl)pyrrole-3-carboxamide
CID 154668563
4-amino-N-(2-oxoethyl)benzamide
CID 54395026
4-ethyl-1,2-oxazole-3-carboxylic acid
CID 53421780

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-oxoethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-methyl-N-(2-oxoethyl)-1,2-oxazole-3-carboxamide (CID 178028461) is 4-methyl-N-(2-oxoethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-oxoethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-methyl-N-(2-oxoethyl)-1,2-oxazole-3-carboxamide is Cc1conc1C(=O)NCC=O.
What is the InChIKey of 4-methyl-N-(2-oxoethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is KXASVZQVTHOJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-5-4-12-9-6(5)7(11)8-2-3-10/h3-4H,2H2,1H3,(H,8,11).
What are the key properties of 4-methyl-N-(2-oxoethyl)-1,2-oxazole-3-carboxamide?
4-methyl-N-(2-oxoethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 168.15 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-oxoethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 178028461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).