N-(2-chloro-3-phenylphenyl)-1,2-benzoxazol-3-amine

C19H13ClN2O — CID 175835015

IUPACN-(2-chloro-3-phenylphenyl)-1,2-benzoxazol-3-amine
SMILESClc1c(Nc2noc3ccccc23)cccc1-c1ccccc1
InChIInChI=1S/C19H13ClN2O/c20-18-14(13-7-2-1-3-8-13)10-6-11-16(18)21-19-15-9-4-5-12-17(15)23-22-19/h1-12H,(H,21,22)
InChIKeySDIYYFGXNGRKKF-UHFFFAOYSA-N
MW320.78 g/mol
LogP5.89
Rot. Bonds3

About N-(2-chloro-3-phenylphenyl)-1,2-benzoxazol-3-amine

N-(2-chloro-3-phenylphenyl)-1,2-benzoxazol-3-amine (PubChem CID 175835015) has the molecular formula C19H13ClN2O and a molecular weight of 320.78 g/mol. Its IUPAC name is N-(2-chloro-3-phenylphenyl)-1,2-benzoxazol-3-amine.

Molecular Properties

Compound NameN-(2-chloro-3-phenylphenyl)-1,2-benzoxazol-3-amine
PubChem CID175835015
Molecular FormulaC19H13ClN2O
Molecular Weight320.78 g/mol
Exact Mass320.07
IUPAC NameN-(2-chloro-3-phenylphenyl)-1,2-benzoxazol-3-amine
SMILESClc1c(Nc2noc3ccccc23)cccc1-c1ccccc1
InChIInChI=1S/C19H13ClN2O/c20-18-14(13-7-2-1-3-8-13)10-6-11-16(18)21-19-15-9-4-5-12-17(15)23-22-19/h1-12H,(H,21,22)
InChIKeySDIYYFGXNGRKKF-UHFFFAOYSA-N
XLogP5.89
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.78
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-phenylphenyl)-1,2-benzoxazol-3-amine?
The IUPAC name of N-(2-chloro-3-phenylphenyl)-1,2-benzoxazol-3-amine (CID 175835015) is N-(2-chloro-3-phenylphenyl)-1,2-benzoxazol-3-amine.
What is the SMILES notation for N-(2-chloro-3-phenylphenyl)-1,2-benzoxazol-3-amine?
The canonical SMILES for N-(2-chloro-3-phenylphenyl)-1,2-benzoxazol-3-amine is Clc1c(Nc2noc3ccccc23)cccc1-c1ccccc1.
What is the InChIKey of N-(2-chloro-3-phenylphenyl)-1,2-benzoxazol-3-amine?
The InChIKey is SDIYYFGXNGRKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O/c20-18-14(13-7-2-1-3-8-13)10-6-11-16(18)21-19-15-9-4-5-12-17(15)23-22-19/h1-12H,(H,21,22).
What are the key properties of N-(2-chloro-3-phenylphenyl)-1,2-benzoxazol-3-amine?
N-(2-chloro-3-phenylphenyl)-1,2-benzoxazol-3-amine has a molecular weight of 320.78 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-phenylphenyl)-1,2-benzoxazol-3-amine is sourced from PubChem (CID 175835015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).