N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C19H16FN3O4 — CID 91770090

IUPACN-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NC1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C19H16FN3O4/c20-12-5-7-14(8-6-12)22-10-13(9-18(22)25)21-17(24)11-23-15-3-1-2-4-16(15)27-19(23)26/h1-8,13H,9-11H2,(H,21,24)
InChIKeyYDKLOSHRIQPABU-UHFFFAOYSA-N
MW369.35 g/mol
LogP1.66
Rot. Bonds4

About N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 91770090) has the molecular formula C19H16FN3O4 and a molecular weight of 369.35 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID91770090
Molecular FormulaC19H16FN3O4
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC NameN-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NC1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C19H16FN3O4/c20-12-5-7-14(8-6-12)22-10-13(9-18(22)25)21-17(24)11-23-15-3-1-2-4-16(15)27-19(23)26/h1-8,13H,9-11H2,(H,21,24)
InChIKeyYDKLOSHRIQPABU-UHFFFAOYSA-N
XLogP1.66
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7254979
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 97136715
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 97136714
N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide
CID 7563674
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 26331061
3-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 16822301
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 104957458
N-[(1R,2R)-2-hydroxycyclohexyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 104927452
[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548387
2,6-difluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971184
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 45194204
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 99838523

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 91770090) is N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is O=C(Cn1c(=O)oc2ccccc21)NC1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is YDKLOSHRIQPABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O4/c20-12-5-7-14(8-6-12)22-10-13(9-18(22)25)21-17(24)11-23-15-3-1-2-4-16(15)27-19(23)26/h1-8,13H,9-11H2,(H,21,24).
What are the key properties of N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 369.35 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 91770090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).