5-chloro-N-phenyl-1,3-benzoxazol-2-amine

C13H9ClN2O — CID 4915226

IUPAC5-chloro-N-phenyl-1,3-benzoxazol-2-amine
SMILESClc1ccc2oc(Nc3ccccc3)nc2c1
InChIInChI=1S/C13H9ClN2O/c14-9-6-7-12-11(8-9)16-13(17-12)15-10-4-2-1-3-5-10/h1-8H,(H,15,16)
InChIKeyYWNAVPSABPGECL-UHFFFAOYSA-N
MW244.68 g/mol
LogP4.22
Rot. Bonds2

About 5-chloro-N-phenyl-1,3-benzoxazol-2-amine

5-chloro-N-phenyl-1,3-benzoxazol-2-amine (PubChem CID 4915226) has the molecular formula C13H9ClN2O and a molecular weight of 244.68 g/mol. Its IUPAC name is 5-chloro-N-phenyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-phenyl-1,3-benzoxazol-2-amine
PubChem CID4915226
Molecular FormulaC13H9ClN2O
Molecular Weight244.68 g/mol
Exact Mass244.04
IUPAC Name5-chloro-N-phenyl-1,3-benzoxazol-2-amine
SMILESClc1ccc2oc(Nc3ccccc3)nc2c1
InChIInChI=1S/C13H9ClN2O/c14-9-6-7-12-11(8-9)16-13(17-12)15-10-4-2-1-3-5-10/h1-8H,(H,15,16)
InChIKeyYWNAVPSABPGECL-UHFFFAOYSA-N
XLogP4.22
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-phenyl-1,3-benzoxazol-2-amine 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

Zoxazolamine
CID 6103
2-Aminobenzoxazole
CID 20707
5-Chloro-2-methylbenzoxazole
CID 29510
1-(1,3-Benzoxazol-2-yl)guanidine
CID 222552
2-(Piperazin-1-yl)-1,3-benzoxazole
CID 647818
N-phenyl-1,3-benzoxazol-2-amine
CID 243391
N-(2-chlorophenyl)-1,3-benzoxazol-2-amine
CID 714839
Benzoxazole, 2-amino-5-fluoro-
CID 15516
Benzoxazole, 2-amino-6-chloro-
CID 40237
3-(5-Chloro-2-benzoxazolyl)benzenamine
CID 721056
N-methyl-1,3-benzoxazol-2-amine
CID 590605
(2S)-2-[(5-chloro-1,3-benzoxazol-2-yl)amino]-3-cyclohexyl-N-{2-[(4-fluorophenyl)amino]ethyl}propanamide
CID 11294094

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-phenyl-1,3-benzoxazol-2-amine?
The IUPAC name of 5-chloro-N-phenyl-1,3-benzoxazol-2-amine (CID 4915226) is 5-chloro-N-phenyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-chloro-N-phenyl-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-chloro-N-phenyl-1,3-benzoxazol-2-amine is Clc1ccc2oc(Nc3ccccc3)nc2c1.
What is the InChIKey of 5-chloro-N-phenyl-1,3-benzoxazol-2-amine?
The InChIKey is YWNAVPSABPGECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O/c14-9-6-7-12-11(8-9)16-13(17-12)15-10-4-2-1-3-5-10/h1-8H,(H,15,16).
What are the key properties of 5-chloro-N-phenyl-1,3-benzoxazol-2-amine?
5-chloro-N-phenyl-1,3-benzoxazol-2-amine has a molecular weight of 244.68 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-phenyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 4915226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).