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

C13H8ClNO — CID 3014177

IUPAC2-(2-chlorophenyl)-1,3-benzoxazole
SMILESClc1ccccc1-c1nc2ccccc2o1
InChIInChI=1S/C13H8ClNO/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8H
InChIKeyXFITVKFDHMNKSI-UHFFFAOYSA-N
MW229.67 g/mol
LogP4.15
Rot. Bonds1

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

2-(2-chlorophenyl)-1,3-benzoxazole (PubChem CID 3014177) has the molecular formula C13H8ClNO and a molecular weight of 229.67 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1,3-benzoxazole
PubChem CID3014177
Molecular FormulaC13H8ClNO
Molecular Weight229.67 g/mol
Exact Mass229.03
IUPAC Name2-(2-chlorophenyl)-1,3-benzoxazole
SMILESClc1ccccc1-c1nc2ccccc2o1
InChIInChI=1S/C13H8ClNO/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8H
InChIKeyXFITVKFDHMNKSI-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

Analyze 2-(2-chlorophenyl)-1,3-benzoxazole with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole
CID 19044929
bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
CID 157356181
bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium
CID 162253412
2-(3,4,5-trichlorophenyl)-1,3-benzoxazole
CID 50849649
1-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]ethanone
CID 95474684
4-bromo-2-(2-chlorophenyl)-1,3-benzoxazole
CID 58065693
3-(1,3-benzoxazol-2-yl)-4-chloro-N-prop-2-ynylaniline
CID 142139537
2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole
CID 58230863
2-(1-chlorodibenzofuran-4-yl)-1,3-benzoxazole
CID 172728490
2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole
CID 102587552
4-[2-(1,3-benzoxazol-2-yl)phenyl]benzaldehyde
CID 90680934
2-(1,3-benzoxazol-2-yl)-N-[[2-(1,3-benzoxazol-2-yl)anilino]-chlorophosphoryl]aniline
CID 25112701

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1,3-benzoxazole?
The IUPAC name of 2-(2-chlorophenyl)-1,3-benzoxazole (CID 3014177) is 2-(2-chlorophenyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(2-chlorophenyl)-1,3-benzoxazole?
The canonical SMILES for 2-(2-chlorophenyl)-1,3-benzoxazole is Clc1ccccc1-c1nc2ccccc2o1.
What is the InChIKey of 2-(2-chlorophenyl)-1,3-benzoxazole?
The InChIKey is XFITVKFDHMNKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8H.
What are the key properties of 2-(2-chlorophenyl)-1,3-benzoxazole?
2-(2-chlorophenyl)-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 2-(2-chlorophenyl)-1,3-benzoxazole is sourced from PubChem (CID 3014177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).