1-(5-methyl-1,2-oxazol-4-yl)ethanone

C6H7NO2 — CID 2764059

IUPAC1-(5-methyl-1,2-oxazol-4-yl)ethanone
SMILESCC(=O)c1cnoc1C
InChIInChI=1S/C6H7NO2/c1-4(8)6-3-7-9-5(6)2/h3H,1-2H3
InChIKeyMPBLCMAVTWOWNH-UHFFFAOYSA-N
MW125.13 g/mol
LogP1.19
Rot. Bonds1

About 1-(5-methyl-1,2-oxazol-4-yl)ethanone

1-(5-methyl-1,2-oxazol-4-yl)ethanone (PubChem CID 2764059) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-4-yl)ethanone
PubChem CID2764059
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name1-(5-methyl-1,2-oxazol-4-yl)ethanone
SMILESCC(=O)c1cnoc1C
InChIInChI=1S/C6H7NO2/c1-4(8)6-3-7-9-5(6)2/h3H,1-2H3
InChIKeyMPBLCMAVTWOWNH-UHFFFAOYSA-N
XLogP1.19
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methyl-1,2-oxazole-4-carbonyl chloride
CID 2759917
5-Methyl-1,2-oxazole-4-carbaldehyde
CID 15721166
1-(5-Cyclopropyl-1,2-oxazol-4-yl)ethan-1-one
CID 84649495
2-Chloro-1-(5-methyl-1,2-oxazol-4-yl)ethan-1-one
CID 75356442
5-Methylisoxazole-4-carboxamide
CID 18366019
5-Methyl-1,2-oxazole-4-carboxylate
CID 6985532
1-(5-Methyl-1,2-oxazol-4-yl)propan-1-one
CID 139227081
2,2,2-Trifluoro-1-(5-methyl-1,2-oxazol-4-yl)ethan-1-one
CID 165837673
2,2-Difluoro-1-(5-methyl-1,2-oxazol-4-yl)ethan-1-one
CID 165838975
5H-Thiopyrano[4,3-d][1,2]oxazol-4(7H)-one
CID 13381535
5-Ethyl-1,2-oxazole-4-carboxamide
CID 19439785
5-Ethylisoxazole-4-carbonyl chloride
CID 19439804

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-4-yl)ethanone?
The IUPAC name of 1-(5-methyl-1,2-oxazol-4-yl)ethanone (CID 2764059) is 1-(5-methyl-1,2-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-4-yl)ethanone?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-4-yl)ethanone is CC(=O)c1cnoc1C.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-4-yl)ethanone?
The InChIKey is MPBLCMAVTWOWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c1-4(8)6-3-7-9-5(6)2/h3H,1-2H3.
What are the key properties of 1-(5-methyl-1,2-oxazol-4-yl)ethanone?
1-(5-methyl-1,2-oxazol-4-yl)ethanone has a molecular weight of 125.13 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-4-yl)ethanone is sourced from PubChem (CID 2764059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).