1-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine

C17H18N2O — CID 82357631

IUPAC1-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
SMILESCNCc1ccc2oc(-c3ccc(C)c(C)c3)nc2c1
InChIInChI=1S/C17H18N2O/c1-11-4-6-14(8-12(11)2)17-19-15-9-13(10-18-3)5-7-16(15)20-17/h4-9,18H,10H2,1-3H3
InChIKeyQATCDBBVVMGCEY-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.83
Rot. Bonds3

About 1-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine

1-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine (PubChem CID 82357631) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
PubChem CID82357631
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
SMILESCNCc1ccc2oc(-c3ccc(C)c(C)c3)nc2c1
InChIInChI=1S/C17H18N2O/c1-11-4-6-14(8-12(11)2)17-19-15-9-13(10-18-3)5-7-16(15)20-17/h4-9,18H,10H2,1-3H3
InChIKeyQATCDBBVVMGCEY-UHFFFAOYSA-N
XLogP3.83
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]ethanamine
CID 82304478
1-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
CID 82357642
2-(3,4-dimethylphenyl)-5-propan-2-yl-1,3-benzoxazole
CID 17273976
2-(3,4-dimethylphenyl)-5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
CID 17297013
2-(3,4-dimethylphenyl)-1,3-benzoxazole-5-carbaldehyde
CID 82159693
1-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
CID 82357625
2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole
CID 20792473
N-methyl-1-(2-pyridin-4-yl-1,3-benzoxazol-6-yl)methanamine
CID 82357586
2,2,2-trichloro-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 5241503
N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3,4-dimethylbenzamide
CID 3395409
4-[5-[[2-(4-aminophenyl)-1,3-benzoxazol-5-yl]methyl]-1,3-benzoxazol-2-yl]aniline
CID 1160387
2-(4-ethylphenyl)-5,6-dimethyl-1,3-benzoxazole
CID 95910929

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine (CID 82357631) is 1-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine is CNCc1ccc2oc(-c3ccc(C)c(C)c3)nc2c1.
What is the InChIKey of 1-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine?
The InChIKey is QATCDBBVVMGCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-11-4-6-14(8-12(11)2)17-19-15-9-13(10-18-3)5-7-16(15)20-17/h4-9,18H,10H2,1-3H3.
What are the key properties of 1-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine?
1-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine has a molecular weight of 266.34 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 82357631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).