N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine

C17H16ClN3O — CID 56665333

IUPACN-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine
SMILESCN(Cc1cccnc1)Cc1coc(-c2ccccc2Cl)n1
InChIInChI=1S/C17H16ClN3O/c1-21(10-13-5-4-8-19-9-13)11-14-12-22-17(20-14)15-6-2-3-7-16(15)18/h2-9,12H,10-11H2,1H3
InChIKeyANQDWNKMLUHYNF-UHFFFAOYSA-N
MW313.79 g/mol
LogP4.02
Rot. Bonds5

About N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine

N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine (PubChem CID 56665333) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine
PubChem CID56665333
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC NameN-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine
SMILESCN(Cc1cccnc1)Cc1coc(-c2ccccc2Cl)n1
InChIInChI=1S/C17H16ClN3O/c1-21(10-13-5-4-8-19-9-13)11-14-12-22-17(20-14)15-6-2-3-7-16(15)18/h2-9,12H,10-11H2,1H3
InChIKeyANQDWNKMLUHYNF-UHFFFAOYSA-N
XLogP4.02
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine (CID 56665333) is N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine is CN(Cc1cccnc1)Cc1coc(-c2ccccc2Cl)n1.
What is the InChIKey of N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine?
The InChIKey is ANQDWNKMLUHYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-21(10-13-5-4-8-19-9-13)11-14-12-22-17(20-14)15-6-2-3-7-16(15)18/h2-9,12H,10-11H2,1H3.
What are the key properties of N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine?
N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine has a molecular weight of 313.79 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 56665333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).