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

C6H6ClNO2 — CID 84650973

IUPAC1-(2-chloro-5-methyl-1,3-oxazol-4-yl)ethanone
SMILESCC(=O)c1nc(Cl)oc1C
InChIInChI=1S/C6H6ClNO2/c1-3(9)5-4(2)10-6(7)8-5/h1-2H3
InChIKeyIJDNGICXMLTLRL-UHFFFAOYSA-N
MW159.57 g/mol
LogP1.84
Rot. Bonds1

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

1-(2-chloro-5-methyl-1,3-oxazol-4-yl)ethanone (PubChem CID 84650973) has the molecular formula C6H6ClNO2 and a molecular weight of 159.57 g/mol. Its IUPAC name is 1-(2-chloro-5-methyl-1,3-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-5-methyl-1,3-oxazol-4-yl)ethanone
PubChem CID84650973
Molecular FormulaC6H6ClNO2
Molecular Weight159.57 g/mol
Exact Mass159.01
IUPAC Name1-(2-chloro-5-methyl-1,3-oxazol-4-yl)ethanone
SMILESCC(=O)c1nc(Cl)oc1C
InChIInChI=1S/C6H6ClNO2/c1-3(9)5-4(2)10-6(7)8-5/h1-2H3
InChIKeyIJDNGICXMLTLRL-UHFFFAOYSA-N
XLogP1.84
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.57
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-chloro-5-methyl-1,3-oxazol-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methyl-1,3-oxazol-4-yl)ethanone?
The IUPAC name of 1-(2-chloro-5-methyl-1,3-oxazol-4-yl)ethanone (CID 84650973) is 1-(2-chloro-5-methyl-1,3-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-(2-chloro-5-methyl-1,3-oxazol-4-yl)ethanone?
The canonical SMILES for 1-(2-chloro-5-methyl-1,3-oxazol-4-yl)ethanone is CC(=O)c1nc(Cl)oc1C.
What is the InChIKey of 1-(2-chloro-5-methyl-1,3-oxazol-4-yl)ethanone?
The InChIKey is IJDNGICXMLTLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO2/c1-3(9)5-4(2)10-6(7)8-5/h1-2H3.
What are the key properties of 1-(2-chloro-5-methyl-1,3-oxazol-4-yl)ethanone?
1-(2-chloro-5-methyl-1,3-oxazol-4-yl)ethanone has a molecular weight of 159.57 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methyl-1,3-oxazol-4-yl)ethanone is sourced from PubChem (CID 84650973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).