2-(3-chlorophenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine

C15H13ClN2O — CID 91676665

IUPAC2-(3-chlorophenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine
SMILESCNc1cc(C)c2oc(-c3cccc(Cl)c3)nc2c1
InChIInChI=1S/C15H13ClN2O/c1-9-6-12(17-2)8-13-14(9)19-15(18-13)10-4-3-5-11(16)7-10/h3-8,17H,1-2H3
InChIKeyZWGOVENBHAXNEH-UHFFFAOYSA-N
MW272.74 g/mol
LogP4.50
Rot. Bonds2

About 2-(3-chlorophenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine

2-(3-chlorophenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine (PubChem CID 91676665) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine
PubChem CID91676665
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name2-(3-chlorophenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine
SMILESCNc1cc(C)c2oc(-c3cccc(Cl)c3)nc2c1
InChIInChI=1S/C15H13ClN2O/c1-9-6-12(17-2)8-13-14(9)19-15(18-13)10-4-3-5-11(16)7-10/h3-8,17H,1-2H3
InChIKeyZWGOVENBHAXNEH-UHFFFAOYSA-N
XLogP4.50
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Aminophenyl)benzoxazol-5-amine
CID 614385
3-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 348698
2-(2-Methylphenyl)-1,3-benzoxazol-5-amine
CID 644436
2-(5-Bromo-2-chlorophenyl)-1,3-benzoxazol-5-ylamine
CID 659499
2-(2-Chlorophenyl)-5-benzoxazolamine
CID 659630
Kyt-0353
CID 24853505
2-chloro-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitrobenzamide
CID 1370177
3-(5,7-Dimethyl-1,3-benzoxazol-2-yl)aniline
CID 721040
2-(4-Chlorophenyl)benzoxazole
CID 14355
3-(6-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 721026
2-(2-Bromophenyl)-5-benzoxazolamine
CID 721066
2-(3-Bromophenyl)-1,3-benzoxazol-5-amine
CID 721069

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(3-chlorophenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine (CID 91676665) is 2-(3-chlorophenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine is CNc1cc(C)c2oc(-c3cccc(Cl)c3)nc2c1.
What is the InChIKey of 2-(3-chlorophenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine?
The InChIKey is ZWGOVENBHAXNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-9-6-12(17-2)8-13-14(9)19-15(18-13)10-4-3-5-11(16)7-10/h3-8,17H,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine?
2-(3-chlorophenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine has a molecular weight of 272.74 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 91676665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).