2-(2-chlorophenyl)-1,3-oxazole

C9H6ClNO — CID 601574

IUPAC2-(2-chlorophenyl)-1,3-oxazole
SMILESClc1ccccc1-c1ncco1
InChIInChI=1S/C9H6ClNO/c10-8-4-2-1-3-7(8)9-11-5-6-12-9/h1-6H
InChIKeyIWUACMRENZNWBB-UHFFFAOYSA-N
MW179.61 g/mol
LogP2.99
Rot. Bonds1

About 2-(2-chlorophenyl)-1,3-oxazole

2-(2-chlorophenyl)-1,3-oxazole (PubChem CID 601574) has the molecular formula C9H6ClNO and a molecular weight of 179.61 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1,3-oxazole
PubChem CID601574
Molecular FormulaC9H6ClNO
Molecular Weight179.61 g/mol
Exact Mass179.01
IUPAC Name2-(2-chlorophenyl)-1,3-oxazole
SMILESClc1ccccc1-c1ncco1
InChIInChI=1S/C9H6ClNO/c10-8-4-2-1-3-7(8)9-11-5-6-12-9/h1-6H
InChIKeyIWUACMRENZNWBB-UHFFFAOYSA-N
XLogP2.99
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.61
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1,3-oxazole?
The IUPAC name of 2-(2-chlorophenyl)-1,3-oxazole (CID 601574) is 2-(2-chlorophenyl)-1,3-oxazole.
What is the SMILES notation for 2-(2-chlorophenyl)-1,3-oxazole?
The canonical SMILES for 2-(2-chlorophenyl)-1,3-oxazole is Clc1ccccc1-c1ncco1.
What is the InChIKey of 2-(2-chlorophenyl)-1,3-oxazole?
The InChIKey is IWUACMRENZNWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO/c10-8-4-2-1-3-7(8)9-11-5-6-12-9/h1-6H.
What are the key properties of 2-(2-chlorophenyl)-1,3-oxazole?
2-(2-chlorophenyl)-1,3-oxazole has a molecular weight of 179.61 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1,3-oxazole is sourced from PubChem (CID 601574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).