5-chloro-2-phenyl-1,3-benzoxazole

C13H8ClNO — CID 773072

IUPAC5-chloro-2-phenyl-1,3-benzoxazole
SMILESClc1ccc2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C13H8ClNO/c14-10-6-7-12-11(8-10)15-13(16-12)9-4-2-1-3-5-9/h1-8H
InChIKeyUVIBAJPAVLHXIC-UHFFFAOYSA-N
MW229.67 g/mol
LogP4.15
Rot. Bonds1

About 5-chloro-2-phenyl-1,3-benzoxazole

5-chloro-2-phenyl-1,3-benzoxazole (PubChem CID 773072) has the molecular formula C13H8ClNO and a molecular weight of 229.67 g/mol. Its IUPAC name is 5-chloro-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-phenyl-1,3-benzoxazole
PubChem CID773072
Molecular FormulaC13H8ClNO
Molecular Weight229.67 g/mol
Exact Mass229.03
IUPAC Name5-chloro-2-phenyl-1,3-benzoxazole
SMILESClc1ccc2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C13H8ClNO/c14-10-6-7-12-11(8-10)15-13(16-12)9-4-2-1-3-5-9/h1-8H
InChIKeyUVIBAJPAVLHXIC-UHFFFAOYSA-N
XLogP4.15
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-phenyl-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-phenyl-1,3-benzoxazole (CID 773072) is 5-chloro-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-phenyl-1,3-benzoxazole is Clc1ccc2oc(-c3ccccc3)nc2c1.
What is the InChIKey of 5-chloro-2-phenyl-1,3-benzoxazole?
The InChIKey is UVIBAJPAVLHXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO/c14-10-6-7-12-11(8-10)15-13(16-12)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 5-chloro-2-phenyl-1,3-benzoxazole?
5-chloro-2-phenyl-1,3-benzoxazole has a molecular weight of 229.67 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 773072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).