1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]piperidine-4-carboxamide

C23H32N4O4S — CID 98726623

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]piperidine-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)CC1
InChIInChI=1S/C23H32N4O4S/c1-16-22(18(3)31-25-16)32(29,30)27-13-9-20(10-14-27)23(28)24-21-11-12-26(15-21)17(2)19-7-5-4-6-8-19/h4-8,17,20-21H,9-15H2,1-3H3,(H,24,28)/t17-,21+/m1/s1
InChIKeyHLPMHYUGSMHSSS-UTKZUKDTSA-N
MW460.60 g/mol
LogP2.64
Rot. Bonds6

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]piperidine-4-carboxamide

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]piperidine-4-carboxamide (PubChem CID 98726623) has the molecular formula C23H32N4O4S and a molecular weight of 460.60 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]piperidine-4-carboxamide
PubChem CID98726623
Molecular FormulaC23H32N4O4S
Molecular Weight460.60 g/mol
Exact Mass460.21
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]piperidine-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)CC1
InChIInChI=1S/C23H32N4O4S/c1-16-22(18(3)31-25-16)32(29,30)27-13-9-20(10-14-27)23(28)24-21-11-12-26(15-21)17(2)19-7-5-4-6-8-19/h4-8,17,20-21H,9-15H2,1-3H3,(H,24,28)/t17-,21+/m1/s1
InChIKeyHLPMHYUGSMHSSS-UTKZUKDTSA-N
XLogP2.64
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]piperidine-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

cis-(1R,3S)-3-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678996
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-methylpropanamide
CID 110823350
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 17481326
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 7092142
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 27539426
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 26688834
2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 94197653
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405
2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 47070507
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]thiophene-2-carboxamide
CID 108562023
N-[3H-benzimidazol-5-yl(phenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 24621592
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 24658952

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]piperidine-4-carboxamide (CID 98726623) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]piperidine-4-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]piperidine-4-carboxamide?
The InChIKey is HLPMHYUGSMHSSS-UTKZUKDTSA-N. The full InChI is InChI=1S/C23H32N4O4S/c1-16-22(18(3)31-25-16)32(29,30)27-13-9-20(10-14-27)23(28)24-21-11-12-26(15-21)17(2)19-7-5-4-6-8-19/h4-8,17,20-21H,9-15H2,1-3H3,(H,24,28)/t17-,21+/m1/s1.
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]piperidine-4-carboxamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]piperidine-4-carboxamide has a molecular weight of 460.60 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 98726623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).