2-(2-chloro-4-methylphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine

C16H15ClN2O — CID 91676754

IUPAC2-(2-chloro-4-methylphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine
SMILESCNc1cc(C)c2oc(-c3ccc(C)cc3Cl)nc2c1
InChIInChI=1S/C16H15ClN2O/c1-9-4-5-12(13(17)6-9)16-19-14-8-11(18-3)7-10(2)15(14)20-16/h4-8,18H,1-3H3
InChIKeyZGAYVACXJCHRQM-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.81
Rot. Bonds2

About 2-(2-chloro-4-methylphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine

2-(2-chloro-4-methylphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine (PubChem CID 91676754) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine
PubChem CID91676754
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name2-(2-chloro-4-methylphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine
SMILESCNc1cc(C)c2oc(-c3ccc(C)cc3Cl)nc2c1
InChIInChI=1S/C16H15ClN2O/c1-9-4-5-12(13(17)6-9)16-19-14-8-11(18-3)7-10(2)15(14)20-16/h4-8,18H,1-3H3
InChIKeyZGAYVACXJCHRQM-UHFFFAOYSA-N
XLogP4.81
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine
CID 91676665
2-(3,4-dimethoxyphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine
CID 91676797
2,5-bis(2-chloro-4-methylphenyl)-1,3,4-oxadiazole
CID 59937379
2-(2-chloro-4,5-difluorophenyl)-7-methyl-1,3-benzoxazol-5-amine
CID 91675007
2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methylbenzamide
CID 2294657
N-ethyl-7-methyl-2-(3-methylphenyl)-1,3-benzoxazol-5-amine
CID 91677568
N-[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
CID 17110986
N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 19631384
N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]acetamide
CID 711630
2-(5-bromo-2-chlorophenyl)-5-methyl-1,3-benzoxazole
CID 17307933
5-chloro-2-(2-fluorophenyl)-7-methyl-1,3-benzoxazole
CID 82233118
5-amino-2-(2-chloro-4-methylphenyl)-1,3-oxazole-4-carbonitrile
CID 106864497

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine (CID 91676754) is 2-(2-chloro-4-methylphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine is CNc1cc(C)c2oc(-c3ccc(C)cc3Cl)nc2c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine?
The InChIKey is ZGAYVACXJCHRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-9-4-5-12(13(17)6-9)16-19-14-8-11(18-3)7-10(2)15(14)20-16/h4-8,18H,1-3H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine?
2-(2-chloro-4-methylphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine has a molecular weight of 286.76 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 91676754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).