2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-(3-chlorophenyl)-1,3-oxazole-4-carboxamide

C24H24ClN3O3 — CID 42859054

IUPAC2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-(3-chlorophenyl)-1,3-oxazole-4-carboxamide
SMILESCC(=O)C1(c2ccccc2)CCN(Cc2nc(C(=O)Nc3cccc(Cl)c3)co2)CC1
InChIInChI=1S/C24H24ClN3O3/c1-17(29)24(18-6-3-2-4-7-18)10-12-28(13-11-24)15-22-27-21(16-31-22)23(30)26-20-9-5-8-19(25)14-20/h2-9,14,16H,10-13,15H2,1H3,(H,26,30)
InChIKeyKLYLODSVULYWJQ-UHFFFAOYSA-N
MW437.93 g/mol
LogP4.70
Rot. Bonds6

About 2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-(3-chlorophenyl)-1,3-oxazole-4-carboxamide

2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-(3-chlorophenyl)-1,3-oxazole-4-carboxamide (PubChem CID 42859054) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is 2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-(3-chlorophenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-(3-chlorophenyl)-1,3-oxazole-4-carboxamide
PubChem CID42859054
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Name2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-(3-chlorophenyl)-1,3-oxazole-4-carboxamide
SMILESCC(=O)C1(c2ccccc2)CCN(Cc2nc(C(=O)Nc3cccc(Cl)c3)co2)CC1
InChIInChI=1S/C24H24ClN3O3/c1-17(29)24(18-6-3-2-4-7-18)10-12-28(13-11-24)15-22-27-21(16-31-22)23(30)26-20-9-5-8-19(25)14-20/h2-9,14,16H,10-13,15H2,1H3,(H,26,30)
InChIKeyKLYLODSVULYWJQ-UHFFFAOYSA-N
XLogP4.70
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 42859056
N-(3-fluorophenyl)-2-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46051636
N-(4-chlorophenyl)-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42856234
N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42856136
2-[(2-acetyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-N-(3-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 46059063
2-[[(1R)-2-acetyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(3-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 93337071
N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42856133
N-(3-chloro-4-fluorophenyl)-2-[[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986478
N-(3-fluorophenyl)-2-[[4-[(2-nitrophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46051627
2-[[4-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]methyl]-N-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 92986309
N-(3-chloro-4-fluorophenyl)-2-[[4-[(2R)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986472
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
CID 42850946

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-(3-chlorophenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-(3-chlorophenyl)-1,3-oxazole-4-carboxamide (CID 42859054) is 2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-(3-chlorophenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-(3-chlorophenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-(3-chlorophenyl)-1,3-oxazole-4-carboxamide is CC(=O)C1(c2ccccc2)CCN(Cc2nc(C(=O)Nc3cccc(Cl)c3)co2)CC1.
What is the InChIKey of 2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-(3-chlorophenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is KLYLODSVULYWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c1-17(29)24(18-6-3-2-4-7-18)10-12-28(13-11-24)15-22-27-21(16-31-22)23(30)26-20-9-5-8-19(25)14-20/h2-9,14,16H,10-13,15H2,1H3,(H,26,30).
What are the key properties of 2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-(3-chlorophenyl)-1,3-oxazole-4-carboxamide?
2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-(3-chlorophenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 437.93 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-(3-chlorophenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42859054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).