(2S,4R)-4-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxamide

C15H14FN3O3 — CID 120965545

IUPAC(2S,4R)-4-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1coc(-c2ccccc2)n1
InChIInChI=1S/C15H14FN3O3/c16-10-6-12(13(17)20)19(7-10)15(21)11-8-22-14(18-11)9-4-2-1-3-5-9/h1-5,8,10,12H,6-7H2,(H2,17,20)/t10-,12+/m1/s1
InChIKeyLAYLPKSSNCIYHZ-PWSUYJOCSA-N
MW303.29 g/mol
LogP1.38
Rot. Bonds3

About (2S,4R)-4-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxamide

(2S,4R)-4-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 120965545) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxamide
PubChem CID120965545
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name(2S,4R)-4-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1coc(-c2ccccc2)n1
InChIInChI=1S/C15H14FN3O3/c16-10-6-12(13(17)20)19(7-10)15(21)11-8-22-14(18-11)9-4-2-1-3-5-9/h1-5,8,10,12H,6-7H2,(H2,17,20)/t10-,12+/m1/s1
InChIKeyLAYLPKSSNCIYHZ-PWSUYJOCSA-N
XLogP1.38
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-4-fluoro-1-(2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
CID 120965571
1-(2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 119137409
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 120659449
(3S,4S)-1-(2-phenyl-1,3-oxazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120949165
(4aR,8aR)-4-(2-phenyl-1,3-oxazole-4-carbonyl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
CID 97224510
(2S,4R)-1-(3,3-diphenylpropanoyl)-4-fluoropyrrolidine-2-carboxamide
CID 120965340
(2S,4R)-4-fluoro-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-2-carboxamide
CID 120965369
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 119542389
3,6-bis(2-methylpropyl)-4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazin-2-one
CID 77456520
[4-(1-aminoethyl)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride
CID 119520922
ethyl 4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazine-1-carboxylate
CID 46896218
[3-(methylamino)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride
CID 119493804

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxamide (CID 120965545) is (2S,4R)-4-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxamide is NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1coc(-c2ccccc2)n1.
What is the InChIKey of (2S,4R)-4-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is LAYLPKSSNCIYHZ-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H14FN3O3/c16-10-6-12(13(17)20)19(7-10)15(21)11-8-22-14(18-11)9-4-2-1-3-5-9/h1-5,8,10,12H,6-7H2,(H2,17,20)/t10-,12+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxamide?
(2S,4R)-4-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 303.29 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 120965545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).