1-(5-methyl-1,3-oxazol-4-yl)ethanone

C6H7NO2 — CID 58221331

IUPAC1-(5-methyl-1,3-oxazol-4-yl)ethanone
SMILESCC(=O)c1ncoc1C
InChIInChI=1S/C6H7NO2/c1-4(8)6-5(2)9-3-7-6/h3H,1-2H3
InChIKeyJNHIXJALRATMCA-UHFFFAOYSA-N
MW125.13 g/mol
LogP1.19
Rot. Bonds1

About 1-(5-methyl-1,3-oxazol-4-yl)ethanone

1-(5-methyl-1,3-oxazol-4-yl)ethanone (PubChem CID 58221331) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 1-(5-methyl-1,3-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-1,3-oxazol-4-yl)ethanone
PubChem CID58221331
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name1-(5-methyl-1,3-oxazol-4-yl)ethanone
SMILESCC(=O)c1ncoc1C
InChIInChI=1S/C6H7NO2/c1-4(8)6-5(2)9-3-7-6/h3H,1-2H3
InChIKeyJNHIXJALRATMCA-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

1-(2,5-Dimethyl-1,3-oxazol-4-yl)ethan-1-one
CID 14738583
5-Methyl-1,3-oxazole-4-carbaldehyde
CID 28951063
Oxazole, 4-ethyl-5-methyl
CID 529031
1-(4-Methyloxazol-5-yl)ethanone
CID 11029839
5-Tert-butyloxazole-4-carboxaldehyde
CID 21031488
2-Imino-1-[5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone
CID 130388810
2-Diazo-1-(5-(trifluoromethyl)oxazol-4-yl)ethan-1-one
CID 131748337
1-[5-(Trifluoromethyl)-1,3-oxazol-4-yl]prop-2-en-1-one
CID 138508038
4-(2,2-Difluoroethyl)-5-methyl-1,3-oxazole
CID 170144691
5-(Difluoromethyl)-4-ethyl-1,3-oxazole
CID 177327934
Oxazole, 4,5-diethyl
CID 529030
2-(5-Methyl-4-oxazolyl)acetonitrile
CID 18982958

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3-oxazol-4-yl)ethanone?
The IUPAC name of 1-(5-methyl-1,3-oxazol-4-yl)ethanone (CID 58221331) is 1-(5-methyl-1,3-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-1,3-oxazol-4-yl)ethanone?
The canonical SMILES for 1-(5-methyl-1,3-oxazol-4-yl)ethanone is CC(=O)c1ncoc1C.
What is the InChIKey of 1-(5-methyl-1,3-oxazol-4-yl)ethanone?
The InChIKey is JNHIXJALRATMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c1-4(8)6-5(2)9-3-7-6/h3H,1-2H3.
What are the key properties of 1-(5-methyl-1,3-oxazol-4-yl)ethanone?
1-(5-methyl-1,3-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-1,3-oxazol-4-yl)ethanone is sourced from PubChem (CID 58221331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).