(2S,4R)-4-fluoro-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide

C14H14F2N4O2 — CID 120963302

IUPAC(2S,4R)-4-fluoro-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](F)CN1Cc1nc(-c2ccccc2F)no1
InChIInChI=1S/C14H14F2N4O2/c15-8-5-11(13(17)21)20(6-8)7-12-18-14(19-22-12)9-3-1-2-4-10(9)16/h1-4,8,11H,5-7H2,(H2,17,21)/t8-,11+/m1/s1
InChIKeyRWBCFRYHNNBBMS-KCJUWKMLSA-N
MW308.29 g/mol
LogP1.27
Rot. Bonds4

About (2S,4R)-4-fluoro-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide

(2S,4R)-4-fluoro-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 120963302) has the molecular formula C14H14F2N4O2 and a molecular weight of 308.29 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID120963302
Molecular FormulaC14H14F2N4O2
Molecular Weight308.29 g/mol
Exact Mass308.11
IUPAC Name(2S,4R)-4-fluoro-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](F)CN1Cc1nc(-c2ccccc2F)no1
InChIInChI=1S/C14H14F2N4O2/c15-8-5-11(13(17)21)20(6-8)7-12-18-14(19-22-12)9-3-1-2-4-10(9)16/h1-4,8,11H,5-7H2,(H2,17,21)/t8-,11+/m1/s1
InChIKeyRWBCFRYHNNBBMS-KCJUWKMLSA-N
XLogP1.27
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4R)-1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-4-fluoropyrrolidine-2-carboxamide
CID 120963198
(2S,4R)-4-hydroxy-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 98754040
[(2S,4S)-4-fluoro-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 128986665
1-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide
CID 121416136
(2S,4R)-1-[(5-bromo-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide
CID 138013376
1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one
CID 71823752
2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 115080371
(1S)-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 95303271
tert-butyl 4-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxylate
CID 75526735
5-ethyl-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 129238942
N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 62716288
2-cyclopentyl-1-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
CID 90641150

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-fluoro-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide (CID 120963302) is (2S,4R)-4-fluoro-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-fluoro-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-fluoro-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide is NC(=O)[C@@H]1C[C@@H](F)CN1Cc1nc(-c2ccccc2F)no1.
What is the InChIKey of (2S,4R)-4-fluoro-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is RWBCFRYHNNBBMS-KCJUWKMLSA-N. The full InChI is InChI=1S/C14H14F2N4O2/c15-8-5-11(13(17)21)20(6-8)7-12-18-14(19-22-12)9-3-1-2-4-10(9)16/h1-4,8,11H,5-7H2,(H2,17,21)/t8-,11+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
(2S,4R)-4-fluoro-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 308.29 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 120963302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).