(3S)-1-[3-(3-fluorophenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-3-carboxamide

C15H14FN3O3 — CID 94512779

IUPAC(3S)-1-[3-(3-fluorophenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@H]1CCN(C(=O)c2cc(-c3cccc(F)c3)no2)C1
InChIInChI=1S/C15H14FN3O3/c16-11-3-1-2-9(6-11)12-7-13(22-18-12)15(21)19-5-4-10(8-19)14(17)20/h1-3,6-7,10H,4-5,8H2,(H2,17,20)/t10-/m0/s1
InChIKeyOCPNQKAKFPNXPN-JTQLQIEISA-N
MW303.29 g/mol
LogP1.43
Rot. Bonds3

About (3S)-1-[3-(3-fluorophenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-3-carboxamide

(3S)-1-[3-(3-fluorophenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-3-carboxamide (PubChem CID 94512779) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is (3S)-1-[3-(3-fluorophenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[3-(3-fluorophenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-3-carboxamide
PubChem CID94512779
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name(3S)-1-[3-(3-fluorophenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@H]1CCN(C(=O)c2cc(-c3cccc(F)c3)no2)C1
InChIInChI=1S/C15H14FN3O3/c16-11-3-1-2-9(6-11)12-7-13(22-18-12)15(21)19-5-4-10(8-19)14(17)20/h1-3,6-7,10H,4-5,8H2,(H2,17,20)/t10-/m0/s1
InChIKeyOCPNQKAKFPNXPN-JTQLQIEISA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
CID 46471000
(3S)-1-[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703485
(3S)-1-[5-(3-fluorophenyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
CID 51493997
1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
CID 119167795
[(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methanone
CID 94643500
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methanone
CID 46472464
N-cyclohexyl-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 46472289
(3R,6R)-6-methyl-1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-3-carboxamide
CID 95585010
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 110164148
N-(2-aminoethyl)-1-[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119480725
[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540304
1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 1093757

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(3-fluorophenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[3-(3-fluorophenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-3-carboxamide (CID 94512779) is (3S)-1-[3-(3-fluorophenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[3-(3-fluorophenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[3-(3-fluorophenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-3-carboxamide is NC(=O)[C@H]1CCN(C(=O)c2cc(-c3cccc(F)c3)no2)C1.
What is the InChIKey of (3S)-1-[3-(3-fluorophenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-3-carboxamide?
The InChIKey is OCPNQKAKFPNXPN-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14FN3O3/c16-11-3-1-2-9(6-11)12-7-13(22-18-12)15(21)19-5-4-10(8-19)14(17)20/h1-3,6-7,10H,4-5,8H2,(H2,17,20)/t10-/m0/s1.
What are the key properties of (3S)-1-[3-(3-fluorophenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-3-carboxamide?
(3S)-1-[3-(3-fluorophenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-3-carboxamide has a molecular weight of 303.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-(3-fluorophenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 94512779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).