(3S)-4-cyclopentyl-3-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]morpholine

C18H23N3O4S — CID 100660221

IUPAC(3S)-4-cyclopentyl-3-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESCS(=O)(=O)c1ccc(-c2noc([C@@H]3COCCN3C3CCCC3)n2)cc1
InChIInChI=1S/C18H23N3O4S/c1-26(22,23)15-8-6-13(7-9-15)17-19-18(25-20-17)16-12-24-11-10-21(16)14-4-2-3-5-14/h6-9,14,16H,2-5,10-12H2,1H3/t16-/m0/s1
InChIKeyRDWHGTMSYGBKQO-INIZCTEOSA-N
MW377.47 g/mol
LogP2.46
Rot. Bonds4

About (3S)-4-cyclopentyl-3-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]morpholine

(3S)-4-cyclopentyl-3-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]morpholine (PubChem CID 100660221) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is (3S)-4-cyclopentyl-3-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]morpholine.

Molecular Properties

Compound Name(3S)-4-cyclopentyl-3-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
PubChem CID100660221
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name(3S)-4-cyclopentyl-3-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESCS(=O)(=O)c1ccc(-c2noc([C@@H]3COCCN3C3CCCC3)n2)cc1
InChIInChI=1S/C18H23N3O4S/c1-26(22,23)15-8-6-13(7-9-15)17-19-18(25-20-17)16-12-24-11-10-21(16)14-4-2-3-5-14/h6-9,14,16H,2-5,10-12H2,1H3/t16-/m0/s1
InChIKeyRDWHGTMSYGBKQO-INIZCTEOSA-N
XLogP2.46
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-4-cyclopentyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 100659561
3-(4-methylsulfonylphenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
CID 124505405
4-cyclopentyl-3-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 136543155
4-cyclopentyl-3-[3-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 154758374
3-(4-methylsulfonylphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120841276
3-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]bicyclo[3.3.1]nonan-9-amine
CID 128744634
5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 99611541
5-cyclohexyl-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075266
5-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 53206219
1-[(4-methylsulfonylphenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506570
5-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole
CID 24731548
3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 75614864

Frequently Asked Questions

What is the IUPAC name of (3S)-4-cyclopentyl-3-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]morpholine?
The IUPAC name of (3S)-4-cyclopentyl-3-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]morpholine (CID 100660221) is (3S)-4-cyclopentyl-3-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]morpholine.
What is the SMILES notation for (3S)-4-cyclopentyl-3-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]morpholine?
The canonical SMILES for (3S)-4-cyclopentyl-3-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]morpholine is CS(=O)(=O)c1ccc(-c2noc([C@@H]3COCCN3C3CCCC3)n2)cc1.
What is the InChIKey of (3S)-4-cyclopentyl-3-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]morpholine?
The InChIKey is RDWHGTMSYGBKQO-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-26(22,23)15-8-6-13(7-9-15)17-19-18(25-20-17)16-12-24-11-10-21(16)14-4-2-3-5-14/h6-9,14,16H,2-5,10-12H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-4-cyclopentyl-3-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]morpholine?
(3S)-4-cyclopentyl-3-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]morpholine has a molecular weight of 377.47 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-cyclopentyl-3-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]morpholine is sourced from PubChem (CID 100660221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).