N-[(1-benzylimidazol-2-yl)methyl]-5-fluoro-N-methyl-1,3-benzoxazol-2-amine

C19H17FN4O — CID 133324481

IUPACN-[(1-benzylimidazol-2-yl)methyl]-5-fluoro-N-methyl-1,3-benzoxazol-2-amine
SMILESCN(Cc1nccn1Cc1ccccc1)c1nc2cc(F)ccc2o1
InChIInChI=1S/C19H17FN4O/c1-23(19-22-16-11-15(20)7-8-17(16)25-19)13-18-21-9-10-24(18)12-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3
InChIKeyNIRYQESLXAKSMR-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.85
Rot. Bonds5

About N-[(1-benzylimidazol-2-yl)methyl]-5-fluoro-N-methyl-1,3-benzoxazol-2-amine

N-[(1-benzylimidazol-2-yl)methyl]-5-fluoro-N-methyl-1,3-benzoxazol-2-amine (PubChem CID 133324481) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[(1-benzylimidazol-2-yl)methyl]-5-fluoro-N-methyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[(1-benzylimidazol-2-yl)methyl]-5-fluoro-N-methyl-1,3-benzoxazol-2-amine
PubChem CID133324481
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-[(1-benzylimidazol-2-yl)methyl]-5-fluoro-N-methyl-1,3-benzoxazol-2-amine
SMILESCN(Cc1nccn1Cc1ccccc1)c1nc2cc(F)ccc2o1
InChIInChI=1S/C19H17FN4O/c1-23(19-22-16-11-15(20)7-8-17(16)25-19)13-18-21-9-10-24(18)12-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3
InChIKeyNIRYQESLXAKSMR-UHFFFAOYSA-N
XLogP3.85
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(1-benzylimidazol-2-yl)methyl]-5-fluoro-N-methyl-1,3-benzoxazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-benzylimidazol-2-yl)methyl]-1-(2,5-difluorophenyl)-N-methylethanamine
CID 87017978
N-[(1-benzylimidazol-2-yl)methyl]-6-(4-fluorophenyl)-N-methylpyridazin-3-amine
CID 133324440
N-benzyl-N,5-dimethyl-1,3-benzoxazol-2-amine
CID 53376845
N-[(1-benzylimidazol-2-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine
CID 78870193
N-[(1-benzylimidazol-2-yl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 133403457
N-[(1-benzylimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide
CID 72938444
2-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethyl-1-[(3-fluorophenyl)methyl]-1-methylguanidine
CID 111285825
(1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(3,5-difluorophenyl)ethanamine
CID 99626012
2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide
CID 54563123
N'-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N'-[(3-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 11952316
N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-nitroaniline
CID 133324452
[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methanamine
CID 62223886

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-5-fluoro-N-methyl-1,3-benzoxazol-2-amine?
The IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-5-fluoro-N-methyl-1,3-benzoxazol-2-amine (CID 133324481) is N-[(1-benzylimidazol-2-yl)methyl]-5-fluoro-N-methyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[(1-benzylimidazol-2-yl)methyl]-5-fluoro-N-methyl-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[(1-benzylimidazol-2-yl)methyl]-5-fluoro-N-methyl-1,3-benzoxazol-2-amine is CN(Cc1nccn1Cc1ccccc1)c1nc2cc(F)ccc2o1.
What is the InChIKey of N-[(1-benzylimidazol-2-yl)methyl]-5-fluoro-N-methyl-1,3-benzoxazol-2-amine?
The InChIKey is NIRYQESLXAKSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-23(19-22-16-11-15(20)7-8-17(16)25-19)13-18-21-9-10-24(18)12-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3.
What are the key properties of N-[(1-benzylimidazol-2-yl)methyl]-5-fluoro-N-methyl-1,3-benzoxazol-2-amine?
N-[(1-benzylimidazol-2-yl)methyl]-5-fluoro-N-methyl-1,3-benzoxazol-2-amine has a molecular weight of 336.37 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylimidazol-2-yl)methyl]-5-fluoro-N-methyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 133324481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).