3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)propanamide

C24H25ClN4O3 — CID 22581192

IUPAC3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2nc(C3=CCN(Cc4ccc(Cl)cc4)CC3)no2)cc1
InChIInChI=1S/C24H25ClN4O3/c1-31-21-8-6-20(7-9-21)26-22(30)10-11-23-27-24(28-32-23)18-12-14-29(15-13-18)16-17-2-4-19(25)5-3-17/h2-9,12H,10-11,13-16H2,1H3,(H,26,30)
InChIKeyWWNINVWKBVORLW-UHFFFAOYSA-N
MW452.94 g/mol
LogP4.59
Rot. Bonds8

About 3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)propanamide

3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)propanamide (PubChem CID 22581192) has the molecular formula C24H25ClN4O3 and a molecular weight of 452.94 g/mol. Its IUPAC name is 3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)propanamide
PubChem CID22581192
Molecular FormulaC24H25ClN4O3
Molecular Weight452.94 g/mol
Exact Mass452.16
IUPAC Name3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2nc(C3=CCN(Cc4ccc(Cl)cc4)CC3)no2)cc1
InChIInChI=1S/C24H25ClN4O3/c1-31-21-8-6-20(7-9-21)26-22(30)10-11-23-27-24(28-32-23)18-12-14-29(15-13-18)16-17-2-4-19(25)5-3-17/h2-9,12H,10-11,13-16H2,1H3,(H,26,30)
InChIKeyWWNINVWKBVORLW-UHFFFAOYSA-N
XLogP4.59
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.94
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 46358218
3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 46358254
N-[(4-chlorophenyl)methyl]-3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]propanamide
CID 22581193
3-[3-[1-[(3-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide
CID 46358211
N-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3422358
N-(1,3-benzodioxol-5-ylmethyl)-3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]propanamide
CID 46358243
3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 46358224
N-[(2S)-butan-2-yl]-3-[3-[1-[(3-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]propanamide
CID 92713675
N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16599968
N-(5-chloro-2,4-dimethoxyphenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46358147
N-[4-(cyanomethyl)phenyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 134012132
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)propanamide
CID 100764143

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)propanamide (CID 22581192) is 3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCc2nc(C3=CCN(Cc4ccc(Cl)cc4)CC3)no2)cc1.
What is the InChIKey of 3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)propanamide?
The InChIKey is WWNINVWKBVORLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O3/c1-31-21-8-6-20(7-9-21)26-22(30)10-11-23-27-24(28-32-23)18-12-14-29(15-13-18)16-17-2-4-19(25)5-3-17/h2-9,12H,10-11,13-16H2,1H3,(H,26,30).
What are the key properties of 3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)propanamide?
3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)propanamide has a molecular weight of 452.94 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 22581192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).