2-methyl-N-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-5-amine

C16H17N3O — CID 115212658

IUPAC2-methyl-N-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-5-amine
SMILESCNc1ccc(CNc2ccc3oc(C)nc3c2)cc1
InChIInChI=1S/C16H17N3O/c1-11-19-15-9-14(7-8-16(15)20-11)18-10-12-3-5-13(17-2)6-4-12/h3-9,17-18H,10H2,1-2H3
InChIKeyLQTDSJGEMJARAZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.79
Rot. Bonds4

About 2-methyl-N-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-5-amine

2-methyl-N-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-5-amine (PubChem CID 115212658) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-methyl-N-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-5-amine
PubChem CID115212658
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-methyl-N-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-5-amine
SMILESCNc1ccc(CNc2ccc3oc(C)nc3c2)cc1
InChIInChI=1S/C16H17N3O/c1-11-19-15-9-14(7-8-16(15)20-11)18-10-12-3-5-13(17-2)6-4-12/h3-9,17-18H,10H2,1-2H3
InChIKeyLQTDSJGEMJARAZ-UHFFFAOYSA-N
XLogP3.79
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-5-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]benzonitrile
CID 107936086
N-ethyl-2-methyl-1,3-benzoxazol-5-amine
CID 28676121
2-methyl-N-(2-methylpropyl)-1,3-benzoxazol-5-amine
CID 28675901
2-methyl-N-[(1-propylpyrrol-3-yl)methyl]-1,3-benzoxazol-5-amine
CID 66397542
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-1,3-benzoxazol-5-amine
CID 28676136
4-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]benzene-1,3-diol
CID 28675939
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methyl-1,3-benzoxazol-5-amine
CID 102831114
6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]pyridin-3-ol
CID 79775669
N'-(2-methyl-1,3-benzoxazol-5-yl)butane-1,4-diamine
CID 115201041
2-fluoro-6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]phenol
CID 115951019
N-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-1,3-benzoxazol-5-amine
CID 43093225
5-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]thiophene-3-carbonitrile
CID 79553695

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-5-amine?
The IUPAC name of 2-methyl-N-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-5-amine (CID 115212658) is 2-methyl-N-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-methyl-N-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-methyl-N-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-5-amine is CNc1ccc(CNc2ccc3oc(C)nc3c2)cc1.
What is the InChIKey of 2-methyl-N-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-5-amine?
The InChIKey is LQTDSJGEMJARAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-19-15-9-14(7-8-16(15)20-11)18-10-12-3-5-13(17-2)6-4-12/h3-9,17-18H,10H2,1-2H3.
What are the key properties of 2-methyl-N-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-5-amine?
2-methyl-N-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-5-amine has a molecular weight of 267.33 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 115212658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).