3-[3-(4-fluorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one

C19H15FN2O4 — CID 139985376

IUPAC3-[3-(4-fluorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)C1ON=C(c2ccc(F)cc2)C1c1ccccc1
InChIInChI=1S/C19H15FN2O4/c20-14-8-6-13(7-9-14)16-15(12-4-2-1-3-5-12)17(26-21-16)18(23)22-10-11-25-19(22)24/h1-9,15,17H,10-11H2
InChIKeyUSLYRELRCYSUGK-UHFFFAOYSA-N
MW354.34 g/mol
LogP2.69
Rot. Bonds3

About 3-[3-(4-fluorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one

3-[3-(4-fluorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 139985376) has the molecular formula C19H15FN2O4 and a molecular weight of 354.34 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
PubChem CID139985376
Molecular FormulaC19H15FN2O4
Molecular Weight354.34 g/mol
Exact Mass354.10
IUPAC Name3-[3-(4-fluorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)C1ON=C(c2ccc(F)cc2)C1c1ccccc1
InChIInChI=1S/C19H15FN2O4/c20-14-8-6-13(7-9-14)16-15(12-4-2-1-3-5-12)17(26-21-16)18(23)22-10-11-25-19(22)24/h1-9,15,17H,10-11H2
InChIKeyUSLYRELRCYSUGK-UHFFFAOYSA-N
XLogP2.69
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[3-(4-fluorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-(3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one
CID 139985373
3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
CID 101132286
(4R,5R)-N,N-dimethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 100963160
(3aR,6aS)-3-(4-fluorophenyl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 7707902
(4S,5S)-N,N-diethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 10591937
3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one;toluene
CID 144509444
3-[(1R,2S,3R,4S)-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one
CID 51346284
(3aR,6aS)-5-benzyl-3-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 7613167
3-[(3R,4R,5S)-2-tert-butyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one
CID 101040640
3-[(3R,4S)-4-(2,4-difluorophenyl)-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
CID 171770700
3-[(4R,5S)-5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one
CID 100921508
2,3-dihydro-1,4-benzoxazin-4-yl-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone
CID 24988276

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(4-fluorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one (CID 139985376) is 3-[3-(4-fluorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(4-fluorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one is O=C1OCCN1C(=O)C1ON=C(c2ccc(F)cc2)C1c1ccccc1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is USLYRELRCYSUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4/c20-14-8-6-13(7-9-14)16-15(12-4-2-1-3-5-12)17(26-21-16)18(23)22-10-11-25-19(22)24/h1-9,15,17H,10-11H2.
What are the key properties of 3-[3-(4-fluorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one?
3-[3-(4-fluorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 354.34 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 139985376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).