3-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-5-carboxamide

C21H18FN3O4 — CID 46978189

IUPAC3-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(N2CC(NC(=O)c3cc(-c4ccc(F)cc4)no3)CC2=O)cc1
InChIInChI=1S/C21H18FN3O4/c1-28-17-8-6-16(7-9-17)25-12-15(10-20(25)26)23-21(27)19-11-18(24-29-19)13-2-4-14(22)5-3-13/h2-9,11,15H,10,12H2,1H3,(H,23,27)
InChIKeyOYOOYIQYHIYQIG-UHFFFAOYSA-N
MW395.39 g/mol
LogP3.02
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-5-carboxamide

3-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 46978189) has the molecular formula C21H18FN3O4 and a molecular weight of 395.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID46978189
Molecular FormulaC21H18FN3O4
Molecular Weight395.39 g/mol
Exact Mass395.13
IUPAC Name3-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(N2CC(NC(=O)c3cc(-c4ccc(F)cc4)no3)CC2=O)cc1
InChIInChI=1S/C21H18FN3O4/c1-28-17-8-6-16(7-9-17)25-12-15(10-20(25)26)23-21(27)19-11-18(24-29-19)13-2-4-14(22)5-3-13/h2-9,11,15H,10,12H2,1H3,(H,23,27)
InChIKeyOYOOYIQYHIYQIG-UHFFFAOYSA-N
XLogP3.02
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7255232
2,6-difluoro-N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43970989
1-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 7215355
5-bromo-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide
CID 43971201
1-ethyl-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-(4-methoxyphenyl)urea
CID 7548446
5-chloro-2-methoxy-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548591
4-fluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822276
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide
CID 18573384
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 16822307
N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide
CID 7255471
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 7563827
2-chloro-6-fluoro-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548589

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-5-carboxamide (CID 46978189) is 3-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-5-carboxamide is COc1ccc(N2CC(NC(=O)c3cc(-c4ccc(F)cc4)no3)CC2=O)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is OYOOYIQYHIYQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O4/c1-28-17-8-6-16(7-9-17)25-12-15(10-20(25)26)23-21(27)19-11-18(24-29-19)13-2-4-14(22)5-3-13/h2-9,11,15H,10,12H2,1H3,(H,23,27).
What are the key properties of 3-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-5-carboxamide?
3-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 395.39 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46978189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).