1-(4-fluorophenyl)-5-oxo-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxamide

C19H16FN5O4 — CID 136962328

IUPAC1-(4-fluorophenyl)-5-oxo-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1nc(-c2ccc[nH]c2=O)no1)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C19H16FN5O4/c20-12-3-5-13(6-4-12)25-10-11(8-16(25)26)18(27)22-9-15-23-17(24-29-15)14-2-1-7-21-19(14)28/h1-7,11H,8-10H2,(H,21,28)(H,22,27)
InChIKeyPTBUTHIYDRGKBD-UHFFFAOYSA-N
MW397.37 g/mol
LogP1.23
Rot. Bonds5

About 1-(4-fluorophenyl)-5-oxo-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxamide

1-(4-fluorophenyl)-5-oxo-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxamide (PubChem CID 136962328) has the molecular formula C19H16FN5O4 and a molecular weight of 397.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-oxo-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-oxo-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxamide
PubChem CID136962328
Molecular FormulaC19H16FN5O4
Molecular Weight397.37 g/mol
Exact Mass397.12
IUPAC Name1-(4-fluorophenyl)-5-oxo-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1nc(-c2ccc[nH]c2=O)no1)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C19H16FN5O4/c20-12-3-5-13(6-4-12)25-10-11(8-16(25)26)18(27)22-9-15-23-17(24-29-15)14-2-1-7-21-19(14)28/h1-7,11H,8-10H2,(H,21,28)(H,22,27)
InChIKeyPTBUTHIYDRGKBD-UHFFFAOYSA-N
XLogP1.23
TPSA121.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 56803324
1-(4-fluorophenyl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 6458569
(3R)-1-(4-fluorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 7228556
N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-5-carboxamide
CID 136967128
(3S)-1-(4-fluorophenyl)-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 25409846
(3R)-1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 702195
(3S)-1-(4-fluorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 97427101
(3S)-1-(4-fluorophenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 7369086
1-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 16866958
(3S)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 25410147
3-fluoro-4-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 136666505
(3R)-1-(4-fluorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97417299

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-oxo-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-oxo-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxamide (CID 136962328) is 1-(4-fluorophenyl)-5-oxo-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-oxo-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-oxo-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxamide is O=C(NCc1nc(-c2ccc[nH]c2=O)no1)C1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-5-oxo-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is PTBUTHIYDRGKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O4/c20-12-3-5-13(6-4-12)25-10-11(8-16(25)26)18(27)22-9-15-23-17(24-29-15)14-2-1-7-21-19(14)28/h1-7,11H,8-10H2,(H,21,28)(H,22,27).
What are the key properties of 1-(4-fluorophenyl)-5-oxo-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxamide?
1-(4-fluorophenyl)-5-oxo-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 397.37 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-oxo-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 136962328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).