2-[(4-methylphenyl)methyl]-1,3-benzoxazol-6-amine

C15H14N2O — CID 43152427

IUPAC2-[(4-methylphenyl)methyl]-1,3-benzoxazol-6-amine
SMILESCc1ccc(Cc2nc3ccc(N)cc3o2)cc1
InChIInChI=1S/C15H14N2O/c1-10-2-4-11(5-3-10)8-15-17-13-7-6-12(16)9-14(13)18-15/h2-7,9H,8,16H2,1H3
InChIKeyDKBKOWBUMKDDFR-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.31
Rot. Bonds2

About 2-[(4-methylphenyl)methyl]-1,3-benzoxazol-6-amine

2-[(4-methylphenyl)methyl]-1,3-benzoxazol-6-amine (PubChem CID 43152427) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-1,3-benzoxazol-6-amine
PubChem CID43152427
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-[(4-methylphenyl)methyl]-1,3-benzoxazol-6-amine
SMILESCc1ccc(Cc2nc3ccc(N)cc3o2)cc1
InChIInChI=1S/C15H14N2O/c1-10-2-4-11(5-3-10)8-15-17-13-7-6-12(16)9-14(13)18-15/h2-7,9H,8,16H2,1H3
InChIKeyDKBKOWBUMKDDFR-UHFFFAOYSA-N
XLogP3.31
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.31
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

2-benzyl-1,3-benzoxazol-6-amine
CID 39112088
2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-6-amine
CID 28932107
4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]aniline
CID 81434208
2-(pyridin-3-ylmethyl)-1,3-benzoxazol-6-amine
CID 96604124
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3-benzoxazol-6-amine
CID 106922240
6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
CID 656381
2-(2-methylbutyl)-1,3-benzoxazol-6-amine
CID 112694836
2-[[4-(chloromethyl)phenyl]methyl]-5-methyl-1,3-benzoxazole
CID 142008394
2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,3-benzoxazol-6-amine
CID 79995079
2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-benzoxazol-6-amine
CID 79997780
2-[[cyclopentyl(methyl)amino]methyl]-1,3-benzoxazol-6-amine
CID 79995589
(6-methyl-1,3-benzoxazol-2-yl)methanol
CID 83383747

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]-1,3-benzoxazol-6-amine?
The IUPAC name of 2-[(4-methylphenyl)methyl]-1,3-benzoxazol-6-amine (CID 43152427) is 2-[(4-methylphenyl)methyl]-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-1,3-benzoxazol-6-amine is Cc1ccc(Cc2nc3ccc(N)cc3o2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-1,3-benzoxazol-6-amine?
The InChIKey is DKBKOWBUMKDDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-10-2-4-11(5-3-10)8-15-17-13-7-6-12(16)9-14(13)18-15/h2-7,9H,8,16H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methyl]-1,3-benzoxazol-6-amine?
2-[(4-methylphenyl)methyl]-1,3-benzoxazol-6-amine has a molecular weight of 238.29 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-1,3-benzoxazol-6-amine is sourced from PubChem (CID 43152427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).