3-cyclopropyl-5-[[(3S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole

C18H22FN3O3S — CID 99993262

IUPAC3-cyclopropyl-5-[[(3S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1
InChIInChI=1S/C18H22FN3O3S/c1-12-9-15(19)6-7-16(12)26(23,24)22-8-2-3-13(11-22)10-17-20-18(21-25-17)14-4-5-14/h6-7,9,13-14H,2-5,8,10-11H2,1H3/t13-/m0/s1
InChIKeyQGRXSRNQFIJWKM-ZDUSSCGKSA-N
MW379.46 g/mol
LogP3.04
Rot. Bonds5

About 3-cyclopropyl-5-[[(3S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[[(3S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole (PubChem CID 99993262) has the molecular formula C18H22FN3O3S and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[(3S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[[(3S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
PubChem CID99993262
Molecular FormulaC18H22FN3O3S
Molecular Weight379.46 g/mol
Exact Mass379.14
IUPAC Name3-cyclopropyl-5-[[(3S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1
InChIInChI=1S/C18H22FN3O3S/c1-12-9-15(19)6-7-16(12)26(23,24)22-8-2-3-13(11-22)10-17-20-18(21-25-17)14-4-5-14/h6-7,9,13-14H,2-5,8,10-11H2,1H3/t13-/m0/s1
InChIKeyQGRXSRNQFIJWKM-ZDUSSCGKSA-N
XLogP3.04
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-cyclopropyl-5-[[(3S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-cyclopropyl-5-[[(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 99993259
5-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 90642122
3-cyclopropyl-5-[[1-(2-methylquinolin-8-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 90641756
3-cyclopropyl-5-[[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 90641759
3-cyclopropyl-5-[[1-(2-ethoxyphenyl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 90641764
3-cyclopropyl-5-[[(3S)-1-ethylsulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 99993031
3-cyclopropyl-5-[[(3S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 99993255
3-cyclopropyl-5-[(1-quinolin-8-ylsulfonylpiperidin-3-yl)methyl]-1,2,4-oxadiazole
CID 90641757
3-cyclopropyl-5-[[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 90641772
3-cyclopropyl-5-[[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 99993043
3-cyclopropyl-5-[[(3R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 99993234
(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine
CID 93274616

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[(3S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[[(3S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole (CID 99993262) is 3-cyclopropyl-5-[[(3S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[[(3S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[[(3S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole is Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1.
What is the InChIKey of 3-cyclopropyl-5-[[(3S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is QGRXSRNQFIJWKM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22FN3O3S/c1-12-9-15(19)6-7-16(12)26(23,24)22-8-2-3-13(11-22)10-17-20-18(21-25-17)14-4-5-14/h6-7,9,13-14H,2-5,8,10-11H2,1H3/t13-/m0/s1.
What are the key properties of 3-cyclopropyl-5-[[(3S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[[(3S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 379.46 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[(3S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 99993262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).