3-(4-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide

C22H22ClN3O3 — CID 46978882

IUPAC3-(4-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(Cl)cc2)c1C(=O)N(Cc1ccccn1)CC1CCCO1
InChIInChI=1S/C22H22ClN3O3/c1-15-20(21(25-29-15)16-7-9-17(23)10-8-16)22(27)26(14-19-6-4-12-28-19)13-18-5-2-3-11-24-18/h2-3,5,7-11,19H,4,6,12-14H2,1H3
InChIKeyGTICQRUEFPDOQY-UHFFFAOYSA-N
MW411.89 g/mol
LogP4.52
Rot. Bonds6

About 3-(4-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide

3-(4-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide (PubChem CID 46978882) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
PubChem CID46978882
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC Name3-(4-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(Cl)cc2)c1C(=O)N(Cc1ccccn1)CC1CCCO1
InChIInChI=1S/C22H22ClN3O3/c1-15-20(21(25-29-15)16-7-9-17(23)10-8-16)22(27)26(14-19-6-4-12-28-19)13-18-5-2-3-11-24-18/h2-3,5,7-11,19H,4,6,12-14H2,1H3
InChIKeyGTICQRUEFPDOQY-UHFFFAOYSA-N
XLogP4.52
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide 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

5-(4-chlorophenyl)-1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 92613543
5-(4-chlorophenyl)-1-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 171700054
1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
CID 131911633
2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 95129192
6-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyran-2-carboxamide
CID 99953564
2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 95149228
3-(2-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 92613662
3,6-dimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 171672352
3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 131912029
3-[(2-chlorophenyl)methyl]-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
CID 121499245
1,4,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide
CID 46979247
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 96574084

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide (CID 46978882) is 3-(4-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccc(Cl)cc2)c1C(=O)N(Cc1ccccn1)CC1CCCO1.
What is the InChIKey of 3-(4-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is GTICQRUEFPDOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c1-15-20(21(25-29-15)16-7-9-17(23)10-8-16)22(27)26(14-19-6-4-12-28-19)13-18-5-2-3-11-24-18/h2-3,5,7-11,19H,4,6,12-14H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
3-(4-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 411.89 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46978882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).