4-(4-chlorophenyl)-2,5-dihydro-1,3-oxazole

C9H8ClNO — CID 12732791

IUPAC4-(4-chlorophenyl)-2,5-dihydro-1,3-oxazole
SMILESClc1ccc(C2=NCOC2)cc1
InChIInChI=1S/C9H8ClNO/c10-8-3-1-7(2-4-8)9-5-12-6-11-9/h1-4H,5-6H2
InChIKeyKNKXKXJTVKPXTC-UHFFFAOYSA-N
MW181.62 g/mol
LogP2.12
Rot. Bonds1

About 4-(4-chlorophenyl)-2,5-dihydro-1,3-oxazole

4-(4-chlorophenyl)-2,5-dihydro-1,3-oxazole (PubChem CID 12732791) has the molecular formula C9H8ClNO and a molecular weight of 181.62 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2,5-dihydro-1,3-oxazole
PubChem CID12732791
Molecular FormulaC9H8ClNO
Molecular Weight181.62 g/mol
Exact Mass181.03
IUPAC Name4-(4-chlorophenyl)-2,5-dihydro-1,3-oxazole
SMILESClc1ccc(C2=NCOC2)cc1
InChIInChI=1S/C9H8ClNO/c10-8-3-1-7(2-4-8)9-5-12-6-11-9/h1-4H,5-6H2
InChIKeyKNKXKXJTVKPXTC-UHFFFAOYSA-N
XLogP2.12
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-chlorophenyl)-2,5-dihydro-1,3-oxazole 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 4-(4-chlorophenyl)-2,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(4-chlorophenyl)-2,5-dihydro-1,3-oxazole (CID 12732791) is 4-(4-chlorophenyl)-2,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(4-chlorophenyl)-2,5-dihydro-1,3-oxazole is Clc1ccc(C2=NCOC2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2,5-dihydro-1,3-oxazole?
The InChIKey is KNKXKXJTVKPXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO/c10-8-3-1-7(2-4-8)9-5-12-6-11-9/h1-4H,5-6H2.
What are the key properties of 4-(4-chlorophenyl)-2,5-dihydro-1,3-oxazole?
4-(4-chlorophenyl)-2,5-dihydro-1,3-oxazole has a molecular weight of 181.62 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2,5-dihydro-1,3-oxazole is sourced from PubChem (CID 12732791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).