1-(4,5-dimethyl-1,3-oxazol-2-yl)ethanone

C7H9NO2 — CID 12691730

IUPAC1-(4,5-dimethyl-1,3-oxazol-2-yl)ethanone
SMILESCC(=O)c1nc(C)c(C)o1
InChIInChI=1S/C7H9NO2/c1-4-6(3)10-7(8-4)5(2)9/h1-3H3
InChIKeyWUNJDCUSAPTSRH-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.49
Rot. Bonds1

About 1-(4,5-dimethyl-1,3-oxazol-2-yl)ethanone

1-(4,5-dimethyl-1,3-oxazol-2-yl)ethanone (PubChem CID 12691730) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-oxazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-oxazol-2-yl)ethanone
PubChem CID12691730
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name1-(4,5-dimethyl-1,3-oxazol-2-yl)ethanone
SMILESCC(=O)c1nc(C)c(C)o1
InChIInChI=1S/C7H9NO2/c1-4-6(3)10-7(8-4)5(2)9/h1-3H3
InChIKeyWUNJDCUSAPTSRH-UHFFFAOYSA-N
XLogP1.49
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,5-Trimethyloxazole
CID 30215
2-Ethyl-4,5-dimethyloxazole
CID 62069
4,5-Dimethyl-2-propyloxazole
CID 104620
2-Isobutyl-4,5-dimethyloxazole
CID 574068
2-Isopropyl-4,5-dimethyloxazole
CID 29644
2-Butyl-4,5-dimethyloxazole
CID 522807
5-Ethyl-2,4-dimethyloxazole
CID 525776
4,5-Dimethyl-1,3-oxazole-2-carbaldehyde
CID 14920525
2-(Chloromethyl)-4,5-dimethyl-1,3-oxazole
CID 15176125
4-(Chloromethyl)-2,5-dimethyl-1,3-oxazole
CID 7537479
2,4-Dimethyl-oxazole-5-carbaldehyde
CID 10606742
5-(Chloromethyl)-2,4-dimethyl-1,3-oxazole
CID 11564492

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)ethanone?
The IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)ethanone (CID 12691730) is 1-(4,5-dimethyl-1,3-oxazol-2-yl)ethanone.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-oxazol-2-yl)ethanone?
The canonical SMILES for 1-(4,5-dimethyl-1,3-oxazol-2-yl)ethanone is CC(=O)c1nc(C)c(C)o1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-oxazol-2-yl)ethanone?
The InChIKey is WUNJDCUSAPTSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-4-6(3)10-7(8-4)5(2)9/h1-3H3.
What are the key properties of 1-(4,5-dimethyl-1,3-oxazol-2-yl)ethanone?
1-(4,5-dimethyl-1,3-oxazol-2-yl)ethanone has a molecular weight of 139.15 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-oxazol-2-yl)ethanone is sourced from PubChem (CID 12691730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).