N-[(4-chlorophenyl)methyl]-3,6-dimethyl-1,2-benzoxazol-5-amine

C16H15ClN2O — CID 141414517

IUPACN-[(4-chlorophenyl)methyl]-3,6-dimethyl-1,2-benzoxazol-5-amine
SMILESCc1cc2onc(C)c2cc1NCc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O/c1-10-7-16-14(11(2)19-20-16)8-15(10)18-9-12-3-5-13(17)6-4-12/h3-8,18H,9H2,1-2H3
InChIKeyVHXDUUWONBTAGK-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.71
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-3,6-dimethyl-1,2-benzoxazol-5-amine

N-[(4-chlorophenyl)methyl]-3,6-dimethyl-1,2-benzoxazol-5-amine (PubChem CID 141414517) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3,6-dimethyl-1,2-benzoxazol-5-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3,6-dimethyl-1,2-benzoxazol-5-amine
PubChem CID141414517
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC NameN-[(4-chlorophenyl)methyl]-3,6-dimethyl-1,2-benzoxazol-5-amine
SMILESCc1cc2onc(C)c2cc1NCc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O/c1-10-7-16-14(11(2)19-20-16)8-15(10)18-9-12-3-5-13(17)6-4-12/h3-8,18H,9H2,1-2H3
InChIKeyVHXDUUWONBTAGK-UHFFFAOYSA-N
XLogP4.71
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(3,4-dichlorophenyl)methyl]-2-methylaniline
CID 28545153
2-chloro-N-[(4-chlorophenyl)methyl]-5-methylpyridin-3-amine
CID 114050809
6-bromo-N-[(4-chlorophenyl)methyl]-2-methylpyridin-3-amine
CID 114050706
N-[(4-chlorophenyl)methyl]-2-fluoro-4-methylaniline
CID 28879315
N-[(4-chlorophenyl)methyl]-4-methyl-2-nitroaniline
CID 43349332
4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline
CID 5209751
N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine chloride
CID 53351957
N'-[4-[(4-chlorophenyl)methylamino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146381292
5-chloro-N-(isoquinolin-6-ylmethyl)-2-methylaniline
CID 107037411
5-chloro-N-[[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126125917
5-bromo-4-fluoro-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 107591833
N-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 715469

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3,6-dimethyl-1,2-benzoxazol-5-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3,6-dimethyl-1,2-benzoxazol-5-amine (CID 141414517) is N-[(4-chlorophenyl)methyl]-3,6-dimethyl-1,2-benzoxazol-5-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3,6-dimethyl-1,2-benzoxazol-5-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3,6-dimethyl-1,2-benzoxazol-5-amine is Cc1cc2onc(C)c2cc1NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3,6-dimethyl-1,2-benzoxazol-5-amine?
The InChIKey is VHXDUUWONBTAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-10-7-16-14(11(2)19-20-16)8-15(10)18-9-12-3-5-13(17)6-4-12/h3-8,18H,9H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-3,6-dimethyl-1,2-benzoxazol-5-amine?
N-[(4-chlorophenyl)methyl]-3,6-dimethyl-1,2-benzoxazol-5-amine has a molecular weight of 286.76 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3,6-dimethyl-1,2-benzoxazol-5-amine is sourced from PubChem (CID 141414517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).