5-[1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

C15H16F2N4O3 — CID 129000127

IUPAC5-[1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(C2CCCN2CC(O)c2ccc(F)cc2F)n1
InChIInChI=1S/C15H16F2N4O3/c16-8-3-4-9(10(17)6-8)12(22)7-21-5-1-2-11(21)15-19-14(13(18)23)20-24-15/h3-4,6,11-12,22H,1-2,5,7H2,(H2,18,23)
InChIKeyGUHYOWJYVJBJMJ-UHFFFAOYSA-N
MW338.31 g/mol
LogP1.32
Rot. Bonds5

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

5-[1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 129000127) has the molecular formula C15H16F2N4O3 and a molecular weight of 338.31 g/mol. Its IUPAC name is 5-[1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID129000127
Molecular FormulaC15H16F2N4O3
Molecular Weight338.31 g/mol
Exact Mass338.12
IUPAC Name5-[1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(C2CCCN2CC(O)c2ccc(F)cc2F)n1
InChIInChI=1S/C15H16F2N4O3/c16-8-3-4-9(10(17)6-8)12(22)7-21-5-1-2-11(21)15-19-14(13(18)23)20-24-15/h3-4,6,11-12,22H,1-2,5,7H2,(H2,18,23)
InChIKeyGUHYOWJYVJBJMJ-UHFFFAOYSA-N
XLogP1.32
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 119034418
(1R)-1-(2,4-difluorophenyl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 95569764
5-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129000090
5-[(2R)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129342039
N-cyclopropyl-1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide
CID 110903395
5-[(2R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129330570
5-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129000044
1-(2,4-difluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol
CID 110903106
5-[(2R)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129336714
5-[1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 128999920
5-[(2R)-1-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129331783
5-[1-[(2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 128999927

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (CID 129000127) is 5-[1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is NC(=O)c1noc(C2CCCN2CC(O)c2ccc(F)cc2F)n1.
What is the InChIKey of 5-[1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is GUHYOWJYVJBJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O3/c16-8-3-4-9(10(17)6-8)12(22)7-21-5-1-2-11(21)15-19-14(13(18)23)20-24-15/h3-4,6,11-12,22H,1-2,5,7H2,(H2,18,23).
What are the key properties of 5-[1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
5-[1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 338.31 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 129000127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).