1-(4-cyclopentyloxyphenyl)sulfonyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

C18H23N3O5S — CID 129004426

IUPAC1-(4-cyclopentyloxyphenyl)sulfonyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESCc1noc(C2(O)CCN(S(=O)(=O)c3ccc(OC4CCCC4)cc3)C2)n1
InChIInChI=1S/C18H23N3O5S/c1-13-19-17(26-20-13)18(22)10-11-21(12-18)27(23,24)16-8-6-15(7-9-16)25-14-4-2-3-5-14/h6-9,14,22H,2-5,10-12H2,1H3
InChIKeyWOHFSOVSKAWINC-UHFFFAOYSA-N
MW393.47 g/mol
LogP1.98
Rot. Bonds5

About 1-(4-cyclopentyloxyphenyl)sulfonyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

1-(4-cyclopentyloxyphenyl)sulfonyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (PubChem CID 129004426) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is 1-(4-cyclopentyloxyphenyl)sulfonyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4-cyclopentyloxyphenyl)sulfonyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
PubChem CID129004426
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Name1-(4-cyclopentyloxyphenyl)sulfonyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESCc1noc(C2(O)CCN(S(=O)(=O)c3ccc(OC4CCCC4)cc3)C2)n1
InChIInChI=1S/C18H23N3O5S/c1-13-19-17(26-20-13)18(22)10-11-21(12-18)27(23,24)16-8-6-15(7-9-16)25-14-4-2-3-5-14/h6-9,14,22H,2-5,10-12H2,1H3
InChIKeyWOHFSOVSKAWINC-UHFFFAOYSA-N
XLogP1.98
TPSA105.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2,4,5-trifluorophenyl)sulfonylpyrrolidin-3-ol
CID 129327157
2-[4-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-hydroxypyrrolidin-1-yl]sulfonylphenyl]acetonitrile
CID 129326342
4-[(3S)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-hydroxypyrrolidin-1-yl]sulfonyl-N-methylbenzamide
CID 129325917
3-(4-cyclopentyloxyphenyl)sulfonyl-1,3-oxazolidine
CID 110740083
2-[4-[(3R)-3-hydroxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonylphenyl]acetonitrile
CID 129326315
(3S)-1-[(6-ethoxy-3-pyridinyl)sulfonyl]-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 129325461
(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-3-ol
CID 129471853
5-[3-hydroxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 129004406
3-(4-cyclopentyloxyphenyl)sulfonyl-1,3-oxazinane
CID 110739721
1-[4-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 110796362
(3S)-1-[(6-ethoxy-3-pyridinyl)sulfonyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 129327151
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(quinolin-8-ylmethylsulfonyl)pyrrolidin-3-ol
CID 129472857

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyloxyphenyl)sulfonyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(4-cyclopentyloxyphenyl)sulfonyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CID 129004426) is 1-(4-cyclopentyloxyphenyl)sulfonyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(4-cyclopentyloxyphenyl)sulfonyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(4-cyclopentyloxyphenyl)sulfonyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is Cc1noc(C2(O)CCN(S(=O)(=O)c3ccc(OC4CCCC4)cc3)C2)n1.
What is the InChIKey of 1-(4-cyclopentyloxyphenyl)sulfonyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The InChIKey is WOHFSOVSKAWINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-13-19-17(26-20-13)18(22)10-11-21(12-18)27(23,24)16-8-6-15(7-9-16)25-14-4-2-3-5-14/h6-9,14,22H,2-5,10-12H2,1H3.
What are the key properties of 1-(4-cyclopentyloxyphenyl)sulfonyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
1-(4-cyclopentyloxyphenyl)sulfonyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol has a molecular weight of 393.47 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentyloxyphenyl)sulfonyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 129004426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).