[2-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone

C20H24ClN3O4S — CID 71837505

IUPAC[2-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1oc(C2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nc1C(=O)N1CCCC1
InChIInChI=1S/C20H24ClN3O4S/c1-14-18(20(25)23-10-4-5-11-23)22-19(28-14)15-8-12-24(13-9-15)29(26,27)17-7-3-2-6-16(17)21/h2-3,6-7,15H,4-5,8-13H2,1H3
InChIKeyONSGYYQTVMQYJK-UHFFFAOYSA-N
MW437.95 g/mol
LogP3.44
Rot. Bonds4

About [2-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone

[2-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 71837505) has the molecular formula C20H24ClN3O4S and a molecular weight of 437.95 g/mol. Its IUPAC name is [2-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID71837505
Molecular FormulaC20H24ClN3O4S
Molecular Weight437.95 g/mol
Exact Mass437.12
IUPAC Name[2-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1oc(C2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nc1C(=O)N1CCCC1
InChIInChI=1S/C20H24ClN3O4S/c1-14-18(20(25)23-10-4-5-11-23)22-19(28-14)15-8-12-24(13-9-15)29(26,27)17-7-3-2-6-16(17)21/h2-3,6-7,15H,4-5,8-13H2,1H3
InChIKeyONSGYYQTVMQYJK-UHFFFAOYSA-N
XLogP3.44
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-methyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1,3-oxazol-4-yl]-piperidin-1-ylmethanone
CID 53168521
(2-chloro-5-fluorophenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 53168372
(4-methylphenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837767
1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 71837765
N-(2-chloro-4-methylphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 71837596
(3,5-dimethylphenyl)-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837745
(2,4-dimethylphenyl)-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837736
(2,5-difluorophenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837787
3-(2-methoxyphenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one
CID 71837780
2-cyclopentyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 71837810
(4-ethoxyphenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837791
2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
CID 53168504

Frequently Asked Questions

What is the IUPAC name of [2-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone (CID 71837505) is [2-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone is Cc1oc(C2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nc1C(=O)N1CCCC1.
What is the InChIKey of [2-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ONSGYYQTVMQYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4S/c1-14-18(20(25)23-10-4-5-11-23)22-19(28-14)15-8-12-24(13-9-15)29(26,27)17-7-3-2-6-16(17)21/h2-3,6-7,15H,4-5,8-13H2,1H3.
What are the key properties of [2-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
[2-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 437.95 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 71837505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).