N-benzyl-N,5-dimethyl-1,3-benzoxazol-2-amine

C16H16N2O — CID 53376845

IUPACN-benzyl-N,5-dimethyl-1,3-benzoxazol-2-amine
SMILESCc1ccc2oc(N(C)Cc3ccccc3)nc2c1
InChIInChI=1S/C16H16N2O/c1-12-8-9-15-14(10-12)17-16(19-15)18(2)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyGSQAOWMTSNCKBL-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.77
Rot. Bonds3

About N-benzyl-N,5-dimethyl-1,3-benzoxazol-2-amine

N-benzyl-N,5-dimethyl-1,3-benzoxazol-2-amine (PubChem CID 53376845) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N-benzyl-N,5-dimethyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-benzyl-N,5-dimethyl-1,3-benzoxazol-2-amine
PubChem CID53376845
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN-benzyl-N,5-dimethyl-1,3-benzoxazol-2-amine
SMILESCc1ccc2oc(N(C)Cc3ccccc3)nc2c1
InChIInChI=1S/C16H16N2O/c1-12-8-9-15-14(10-12)17-16(19-15)18(2)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyGSQAOWMTSNCKBL-UHFFFAOYSA-N
XLogP3.77
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-N'-(5-methyl-1,3-benzoxazol-2-yl)ethane-1,2-diamine
CID 83832889
2-[benzyl(methyl)amino]-1,3-benzoxazol-6-ol
CID 156778570
2-[methyl-(5-methyl-1,3-benzoxazol-2-yl)amino]propanoic acid
CID 83841395
1-(5-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine
CID 54936860
N-[(1-benzylimidazol-2-yl)methyl]-5-fluoro-N-methyl-1,3-benzoxazol-2-amine
CID 133324481
N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 46099522
2-N-methyl-2-N-[(4-methylphenyl)methyl]-1,3-benzoxazole-2,4-diamine
CID 79891140
N-benzyl-N,2,5-trimethylaniline
CID 15439716
N-benzyl-6-[(2E)-2-(fluoromethylidene)butoxy]-N-methyl-1,3-benzoxazol-2-amine
CID 163444149
5-methyl-2-(4-phenylmethoxyphenyl)-1,3-benzoxazole;2-methylpropane
CID 90914876
N-benzyl-N,2-dimethyl-1,3-benzoxazole-5-carboxamide
CID 110387920
2-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-2,6-diamine
CID 79890561

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,5-dimethyl-1,3-benzoxazol-2-amine?
The IUPAC name of N-benzyl-N,5-dimethyl-1,3-benzoxazol-2-amine (CID 53376845) is N-benzyl-N,5-dimethyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-benzyl-N,5-dimethyl-1,3-benzoxazol-2-amine?
The canonical SMILES for N-benzyl-N,5-dimethyl-1,3-benzoxazol-2-amine is Cc1ccc2oc(N(C)Cc3ccccc3)nc2c1.
What is the InChIKey of N-benzyl-N,5-dimethyl-1,3-benzoxazol-2-amine?
The InChIKey is GSQAOWMTSNCKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12-8-9-15-14(10-12)17-16(19-15)18(2)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3.
What are the key properties of N-benzyl-N,5-dimethyl-1,3-benzoxazol-2-amine?
N-benzyl-N,5-dimethyl-1,3-benzoxazol-2-amine has a molecular weight of 252.32 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,5-dimethyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 53376845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).