5-[1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

C15H17FN4O2S — CID 119034418

IUPAC5-[1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(C2CCCN2CCSc2ccccc2F)n1
InChIInChI=1S/C15H17FN4O2S/c16-10-4-1-2-6-12(10)23-9-8-20-7-3-5-11(20)15-18-14(13(17)21)19-22-15/h1-2,4,6,11H,3,5,7-9H2,(H2,17,21)
InChIKeyBVEITZOZIGLXMP-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.24
Rot. Bonds6

About 5-[1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

5-[1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 119034418) has the molecular formula C15H17FN4O2S and a molecular weight of 336.39 g/mol. Its IUPAC name is 5-[1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID119034418
Molecular FormulaC15H17FN4O2S
Molecular Weight336.39 g/mol
Exact Mass336.11
IUPAC Name5-[1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(C2CCCN2CCSc2ccccc2F)n1
InChIInChI=1S/C15H17FN4O2S/c16-10-4-1-2-6-12(10)23-9-8-20-7-3-5-11(20)15-18-14(13(17)21)19-22-15/h1-2,4,6,11H,3,5,7-9H2,(H2,17,21)
InChIKeyBVEITZOZIGLXMP-UHFFFAOYSA-N
XLogP2.24
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129000127
5-[(2R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129330570
5-[(2R)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129342039
5-[1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 128999920
5-[(2R)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129336714
5-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129000090
5-[1-[(2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 128999927
5-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129000044
5-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 128999887
5-[(2R)-1-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129331783
N-cyclopropyl-5-[1-[2-(3,4-difluorophenyl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129007591
5-[(2S)-1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129341141

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (CID 119034418) is 5-[1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is NC(=O)c1noc(C2CCCN2CCSc2ccccc2F)n1.
What is the InChIKey of 5-[1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is BVEITZOZIGLXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2S/c16-10-4-1-2-6-12(10)23-9-8-20-7-3-5-11(20)15-18-14(13(17)21)19-22-15/h1-2,4,6,11H,3,5,7-9H2,(H2,17,21).
What are the key properties of 5-[1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
5-[1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 119034418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).