N-(2-chlorophenyl)-1,3-benzoxazol-2-amine

C13H9ClN2O — CID 714839

IUPACN-(2-chlorophenyl)-1,3-benzoxazol-2-amine
SMILESClc1ccccc1Nc1nc2ccccc2o1
InChIInChI=1S/C13H9ClN2O/c14-9-5-1-2-6-10(9)15-13-16-11-7-3-4-8-12(11)17-13/h1-8H,(H,15,16)
InChIKeyYCVGAYXIQCGTFE-UHFFFAOYSA-N
MW244.68 g/mol
LogP4.22
Rot. Bonds2

About N-(2-chlorophenyl)-1,3-benzoxazol-2-amine

N-(2-chlorophenyl)-1,3-benzoxazol-2-amine (PubChem CID 714839) has the molecular formula C13H9ClN2O and a molecular weight of 244.68 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1,3-benzoxazol-2-amine
PubChem CID714839
Molecular FormulaC13H9ClN2O
Molecular Weight244.68 g/mol
Exact Mass244.04
IUPAC NameN-(2-chlorophenyl)-1,3-benzoxazol-2-amine
SMILESClc1ccccc1Nc1nc2ccccc2o1
InChIInChI=1S/C13H9ClN2O/c14-9-5-1-2-6-10(9)15-13-16-11-7-3-4-8-12(11)17-13/h1-8H,(H,15,16)
InChIKeyYCVGAYXIQCGTFE-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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(2-chlorophenyl)-1,3-benzoxazol-2-amine (CID 714839) is N-(2-chlorophenyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(2-chlorophenyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(2-chlorophenyl)-1,3-benzoxazol-2-amine is Clc1ccccc1Nc1nc2ccccc2o1.
What is the InChIKey of N-(2-chlorophenyl)-1,3-benzoxazol-2-amine?
The InChIKey is YCVGAYXIQCGTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O/c14-9-5-1-2-6-10(9)15-13-16-11-7-3-4-8-12(11)17-13/h1-8H,(H,15,16).
What are the key properties of N-(2-chlorophenyl)-1,3-benzoxazol-2-amine?
N-(2-chlorophenyl)-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 N-(2-chlorophenyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 714839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).