4-methyl-1,2-oxazole-3-carboxamide

C5H6N2O2 — CID 55289446

IUPAC4-methyl-1,2-oxazole-3-carboxamide
SMILESCc1conc1C(N)=O
InChIInChI=1S/C5H6N2O2/c1-3-2-9-7-4(3)5(6)8/h2H,1H3,(H2,6,8)
InChIKeyQUGADGXAROHCKR-UHFFFAOYSA-N
MW126.11 g/mol
LogP0.08
Rot. Bonds1

About 4-methyl-1,2-oxazole-3-carboxamide

4-methyl-1,2-oxazole-3-carboxamide (PubChem CID 55289446) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 4-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-1,2-oxazole-3-carboxamide
PubChem CID55289446
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name4-methyl-1,2-oxazole-3-carboxamide
SMILESCc1conc1C(N)=O
InChIInChI=1S/C5H6N2O2/c1-3-2-9-7-4(3)5(6)8/h2H,1H3,(H2,6,8)
InChIKeyQUGADGXAROHCKR-UHFFFAOYSA-N
XLogP0.08
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Oxazole-3-carboxamide
CID 22263119
4-Methyl-1,2-oxazole-3-carbaldehyde
CID 28951011
(4-Methyl-1,2-oxazol-3-yl)methanamine
CID 68698791
7-Oxo-6,7-dihydroisoxazolo[3,4-d]pyridazine
CID 53637160
Isoxazole-3-hydroxamic acid
CID 61802965
3,4-Isoxazolediamide
CID 67849858
4-(Aminomethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 68842773
4-(Trifluoromethyl)-1,2-oxazole-3-carboxamide
CID 138559843
4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2-oxazole-3-carboxamide
CID 140563195
4-(2,2,2-Trifluoroethyl)-1,2-oxazole-3-carboxamide
CID 141281509
4-Fluoro-1,2-oxazole-3-carboxamide
CID 154036926
4-(2,2-Difluoroethyl)-1,2-oxazole-3-carboxamide
CID 156895385

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-methyl-1,2-oxazole-3-carboxamide (CID 55289446) is 4-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-methyl-1,2-oxazole-3-carboxamide is Cc1conc1C(N)=O.
What is the InChIKey of 4-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is QUGADGXAROHCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c1-3-2-9-7-4(3)5(6)8/h2H,1H3,(H2,6,8).
What are the key properties of 4-methyl-1,2-oxazole-3-carboxamide?
4-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 126.11 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 55289446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).