2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-phenylacetamide

C14H15FN4O2 — CID 120838527

IUPAC2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
SMILESO=C(Cc1noc([C@H]2C[C@H](F)CN2)n1)Nc1ccccc1
InChIInChI=1S/C14H15FN4O2/c15-9-6-11(16-8-9)14-18-12(19-21-14)7-13(20)17-10-4-2-1-3-5-10/h1-5,9,11,16H,6-8H2,(H,17,20)/t9-,11+/m0/s1
InChIKeyWXUQVBZHBUFXSV-GXSJLCMTSA-N
MW290.30 g/mol
LogP1.62
Rot. Bonds4

About 2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-phenylacetamide

2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-phenylacetamide (PubChem CID 120838527) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
PubChem CID120838527
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
SMILESO=C(Cc1noc([C@H]2C[C@H](F)CN2)n1)Nc1ccccc1
InChIInChI=1S/C14H15FN4O2/c15-9-6-11(16-8-9)14-18-12(19-21-14)7-13(20)17-10-4-2-1-3-5-10/h1-5,9,11,16H,6-8H2,(H,17,20)/t9-,11+/m0/s1
InChIKeyWXUQVBZHBUFXSV-GXSJLCMTSA-N
XLogP1.62
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 120835113
2-[5-(6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide;hydrochloride
CID 120838608
2-[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid
CID 174238017
N-phenyl-2-[5-[(2R,3S)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide
CID 124843527
2-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 99632717
3-[(3-fluorophenyl)methyl]-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole
CID 120893888
N-phenyl-2-[5-[(1R,2R)-2-(pyrrolidine-1-carbonyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 100659849
N-phenyl-2-[5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-oxadiazol-3-yl]acetamide
CID 120838621
3-(2-anilino-2-oxoethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 39339684
N-[[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 120838595
N-(4-methylphenyl)-2-[5-[(2R)-morpholin-2-yl]-1,2,4-oxadiazol-3-yl]acetamide
CID 120835397
5-[(2S,4R)-4-fluoropyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 129493088

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-phenylacetamide?
The IUPAC name of 2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-phenylacetamide (CID 120838527) is 2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-phenylacetamide?
The canonical SMILES for 2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-phenylacetamide is O=C(Cc1noc([C@H]2C[C@H](F)CN2)n1)Nc1ccccc1.
What is the InChIKey of 2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-phenylacetamide?
The InChIKey is WXUQVBZHBUFXSV-GXSJLCMTSA-N. The full InChI is InChI=1S/C14H15FN4O2/c15-9-6-11(16-8-9)14-18-12(19-21-14)7-13(20)17-10-4-2-1-3-5-10/h1-5,9,11,16H,6-8H2,(H,17,20)/t9-,11+/m0/s1.
What are the key properties of 2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-phenylacetamide?
2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-phenylacetamide has a molecular weight of 290.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-phenylacetamide is sourced from PubChem (CID 120838527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).