1-[5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

C17H23FN4O3S — CID 120868560

IUPAC1-[5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(C2CCN(S(=O)(=O)c3ccccc3F)CC2)n1
InChIInChI=1S/C17H23FN4O3S/c1-12(19-2)11-16-20-17(25-21-16)13-7-9-22(10-8-13)26(23,24)15-6-4-3-5-14(15)18/h3-6,12-13,19H,7-11H2,1-2H3
InChIKeyNMBBZGVGPLKBIZ-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.93
Rot. Bonds6

About 1-[5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

1-[5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (PubChem CID 120868560) has the molecular formula C17H23FN4O3S and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
PubChem CID120868560
Molecular FormulaC17H23FN4O3S
Molecular Weight382.46 g/mol
Exact Mass382.15
IUPAC Name1-[5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(C2CCN(S(=O)(=O)c3ccccc3F)CC2)n1
InChIInChI=1S/C17H23FN4O3S/c1-12(19-2)11-16-20-17(25-21-16)13-7-9-22(10-8-13)26(23,24)15-6-4-3-5-14(15)18/h3-6,12-13,19H,7-11H2,1-2H3
InChIKeyNMBBZGVGPLKBIZ-UHFFFAOYSA-N
XLogP1.93
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866304
1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120864866
1-[5-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866988
1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 115077206
1-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 120869328
[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 120865692
5-[(3R)-1-(3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129491455
2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718290
5-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 155942953
5-[1-(benzenesulfonyl)piperidin-4-yl]-3-butan-2-yl-1,2,4-oxadiazole
CID 56728016
1-(4-chlorophenyl)-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 120868638
N-methyl-1-[5-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120865580

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (CID 120868560) is 1-[5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is CNC(C)Cc1noc(C2CCN(S(=O)(=O)c3ccccc3F)CC2)n1.
What is the InChIKey of 1-[5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The InChIKey is NMBBZGVGPLKBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O3S/c1-12(19-2)11-16-20-17(25-21-16)13-7-9-22(10-8-13)26(23,24)15-6-4-3-5-14(15)18/h3-6,12-13,19H,7-11H2,1-2H3.
What are the key properties of 1-[5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
1-[5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine has a molecular weight of 382.46 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 120868560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).