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

C15H13ClN2O — CID 94979363

IUPAC7-chloro-4-methyl-2-(4-methylphenyl)-1,3-benzoxazol-5-amine
SMILESCc1ccc(-c2nc3c(C)c(N)cc(Cl)c3o2)cc1
InChIInChI=1S/C15H13ClN2O/c1-8-3-5-10(6-4-8)15-18-13-9(2)12(17)7-11(16)14(13)19-15/h3-7H,17H2,1-2H3
InChIKeyUVILLDJSUVCYDF-UHFFFAOYSA-N
MW272.74 g/mol
LogP4.35
Rot. Bonds1

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

7-chloro-4-methyl-2-(4-methylphenyl)-1,3-benzoxazol-5-amine (PubChem CID 94979363) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 7-chloro-4-methyl-2-(4-methylphenyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name7-chloro-4-methyl-2-(4-methylphenyl)-1,3-benzoxazol-5-amine
PubChem CID94979363
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name7-chloro-4-methyl-2-(4-methylphenyl)-1,3-benzoxazol-5-amine
SMILESCc1ccc(-c2nc3c(C)c(N)cc(Cl)c3o2)cc1
InChIInChI=1S/C15H13ClN2O/c1-8-3-5-10(6-4-8)15-18-13-9(2)12(17)7-11(16)14(13)19-15/h3-7H,17H2,1-2H3
InChIKeyUVILLDJSUVCYDF-UHFFFAOYSA-N
XLogP4.35
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4,7-dimethyl-2-phenyl-1,3-benzoxazol-5-amine
CID 82231793
7-chloro-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine
CID 145013764
5-chloro-4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole
CID 94979329
4,6-dibromo-7-methyl-2-(4-methylphenyl)-1,3-benzoxazol-5-amine
CID 95910799
7-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine
CID 129201835
5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylaniline
CID 736272
5,7-dichloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine;N,N-dimethylformamide
CID 158413149
2-(2-fluorophenyl)-4,7-dimethyl-1,3-benzoxazol-5-amine
CID 82232746
2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 735973
7-chloro-2-(4-fluorophenyl)-1,3-benzoxazol-5-amine
CID 82233186
4,8-dichloro-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 134923956
4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole
CID 82231763

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methyl-2-(4-methylphenyl)-1,3-benzoxazol-5-amine?
The IUPAC name of 7-chloro-4-methyl-2-(4-methylphenyl)-1,3-benzoxazol-5-amine (CID 94979363) is 7-chloro-4-methyl-2-(4-methylphenyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 7-chloro-4-methyl-2-(4-methylphenyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 7-chloro-4-methyl-2-(4-methylphenyl)-1,3-benzoxazol-5-amine is Cc1ccc(-c2nc3c(C)c(N)cc(Cl)c3o2)cc1.
What is the InChIKey of 7-chloro-4-methyl-2-(4-methylphenyl)-1,3-benzoxazol-5-amine?
The InChIKey is UVILLDJSUVCYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-8-3-5-10(6-4-8)15-18-13-9(2)12(17)7-11(16)14(13)19-15/h3-7H,17H2,1-2H3.
What are the key properties of 7-chloro-4-methyl-2-(4-methylphenyl)-1,3-benzoxazol-5-amine?
7-chloro-4-methyl-2-(4-methylphenyl)-1,3-benzoxazol-5-amine has a molecular weight of 272.74 g/mol, XLogP of 4.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methyl-2-(4-methylphenyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 94979363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).