3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-cyclopentylsulfonyl-N-methylpyrrolidine-3-carboxamide

C21H33N3O4S — CID 127249268

IUPAC3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-cyclopentylsulfonyl-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(Cc2cc(C3CCCCC3)no2)CCN(S(=O)(=O)C2CCCC2)C1
InChIInChI=1S/C21H33N3O4S/c1-22-20(25)21(11-12-24(15-21)29(26,27)18-9-5-6-10-18)14-17-13-19(23-28-17)16-7-3-2-4-8-16/h13,16,18H,2-12,14-15H2,1H3,(H,22,25)
InChIKeyQKWDNHJHNQTMIP-UHFFFAOYSA-N
MW423.58 g/mol
LogP2.98
Rot. Bonds6

About 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-cyclopentylsulfonyl-N-methylpyrrolidine-3-carboxamide

3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-cyclopentylsulfonyl-N-methylpyrrolidine-3-carboxamide (PubChem CID 127249268) has the molecular formula C21H33N3O4S and a molecular weight of 423.58 g/mol. Its IUPAC name is 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-cyclopentylsulfonyl-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-cyclopentylsulfonyl-N-methylpyrrolidine-3-carboxamide
PubChem CID127249268
Molecular FormulaC21H33N3O4S
Molecular Weight423.58 g/mol
Exact Mass423.22
IUPAC Name3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-cyclopentylsulfonyl-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(Cc2cc(C3CCCCC3)no2)CCN(S(=O)(=O)C2CCCC2)C1
InChIInChI=1S/C21H33N3O4S/c1-22-20(25)21(11-12-24(15-21)29(26,27)18-9-5-6-10-18)14-17-13-19(23-28-17)16-7-3-2-4-8-16/h13,16,18H,2-12,14-15H2,1H3,(H,22,25)
InChIKeyQKWDNHJHNQTMIP-UHFFFAOYSA-N
XLogP2.98
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N-methyl-1-(quinoline-6-carbonyl)pyrrolidine-3-carboxamide
CID 127249241
3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-methylpyrrolidine-3-carboxamide
CID 127249251
3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-(3-methoxyphenyl)sulfonylpyrrolidine-3-carboxamide
CID 127249270
1-cyclopentyl-N-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 110129865
3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-(2-methoxybenzoyl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 127249231
3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-3-carboxamide
CID 127249275
(3S)-N-ethyl-1-ethylsulfonyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 51595538
1-(3-cyclobutyl-1,2-oxazol-5-yl)-N-methylmethanamine
CID 83845888
(3R)-1-cyclopentyl-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
CID 95855427
1-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 127249257
3-cyclohexyl-5-[[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-1,2-oxazole
CID 70708804
4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane;formic acid
CID 154919996

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-cyclopentylsulfonyl-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-cyclopentylsulfonyl-N-methylpyrrolidine-3-carboxamide (CID 127249268) is 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-cyclopentylsulfonyl-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-cyclopentylsulfonyl-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-cyclopentylsulfonyl-N-methylpyrrolidine-3-carboxamide is CNC(=O)C1(Cc2cc(C3CCCCC3)no2)CCN(S(=O)(=O)C2CCCC2)C1.
What is the InChIKey of 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-cyclopentylsulfonyl-N-methylpyrrolidine-3-carboxamide?
The InChIKey is QKWDNHJHNQTMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O4S/c1-22-20(25)21(11-12-24(15-21)29(26,27)18-9-5-6-10-18)14-17-13-19(23-28-17)16-7-3-2-4-8-16/h13,16,18H,2-12,14-15H2,1H3,(H,22,25).
What are the key properties of 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-cyclopentylsulfonyl-N-methylpyrrolidine-3-carboxamide?
3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-cyclopentylsulfonyl-N-methylpyrrolidine-3-carboxamide has a molecular weight of 423.58 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-cyclopentylsulfonyl-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 127249268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).