[3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone

C20H25N3O5S — CID 92557995

IUPAC[3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCC(c3cc(C(=O)N4CCOCC4)on3)CC2)cc1
InChIInChI=1S/C20H25N3O5S/c1-15-2-4-17(5-3-15)29(25,26)23-8-6-16(7-9-23)18-14-19(28-21-18)20(24)22-10-12-27-13-11-22/h2-5,14,16H,6-13H2,1H3
InChIKeyWYZGTZJMYINTHR-UHFFFAOYSA-N
MW419.50 g/mol
LogP2.02
Rot. Bonds4

About [3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone

[3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 92557995) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is [3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
PubChem CID92557995
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name[3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCC(c3cc(C(=O)N4CCOCC4)on3)CC2)cc1
InChIInChI=1S/C20H25N3O5S/c1-15-2-4-17(5-3-15)29(25,26)23-8-6-16(7-9-23)18-14-19(28-21-18)20(24)22-10-12-27-13-11-22/h2-5,14,16H,6-13H2,1H3
InChIKeyWYZGTZJMYINTHR-UHFFFAOYSA-N
XLogP2.02
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone
CID 50848733
morpholin-4-yl-[3-[1-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-5-yl]methanone
CID 92574714
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38488057
1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one
CID 55867380
3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid
CID 146136179
[4-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-phenylmethanone
CID 1453664
[3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
CID 92600776
N-(cyclohexylmethyl)-3-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92558001
[(5R)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone
CID 7355258
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 3156708
[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 1090398

Frequently Asked Questions

What is the IUPAC name of [3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone (CID 92557995) is [3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone is Cc1ccc(S(=O)(=O)N2CCC(c3cc(C(=O)N4CCOCC4)on3)CC2)cc1.
What is the InChIKey of [3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is WYZGTZJMYINTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-15-2-4-17(5-3-15)29(25,26)23-8-6-16(7-9-23)18-14-19(28-21-18)20(24)22-10-12-27-13-11-22/h2-5,14,16H,6-13H2,1H3.
What are the key properties of [3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
[3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 419.50 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 92557995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).