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

C25H19FN2O4 — CID 139947551

IUPAC3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-diphenyl-1,3-oxazolidin-2-one
SMILESO=C1OCC(c2ccccc2)(c2ccccc2)N1C(=O)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C25H19FN2O4/c26-20-13-11-17(12-14-20)21-15-22(32-27-21)23(29)28-24(30)31-16-25(28,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22H,15-16H2
InChIKeyYUYIZHNNEJOXJP-UHFFFAOYSA-N
MW430.44 g/mol
LogP4.24
Rot. Bonds4

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

3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-diphenyl-1,3-oxazolidin-2-one (PubChem CID 139947551) has the molecular formula C25H19FN2O4 and a molecular weight of 430.44 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-diphenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-diphenyl-1,3-oxazolidin-2-one
PubChem CID139947551
Molecular FormulaC25H19FN2O4
Molecular Weight430.44 g/mol
Exact Mass430.13
IUPAC Name3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-diphenyl-1,3-oxazolidin-2-one
SMILESO=C1OCC(c2ccccc2)(c2ccccc2)N1C(=O)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C25H19FN2O4/c26-20-13-11-17(12-14-20)21-15-22(32-27-21)23(29)28-24(30)31-16-25(28,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22H,15-16H2
InChIKeyYUYIZHNNEJOXJP-UHFFFAOYSA-N
XLogP4.24
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

N,N-dibenzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493503
3-[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 10149601
4,4-Diethyl-3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
CID 10236800
(4S)-4-benzyl-3-[(5S)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-5,5-dimethyl-1,3-oxazolidin-2-one
CID 15537175
(4S)-3-[(5E)-5-(4-fluorophenyl)-5-methoxyiminopentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 46932815
(4S)-3-[(5E)-5-(4-fluorophenyl)-5-hydroxyiminopentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 57389612
(4S)-3-[5-(4-fluorophenyl)-5-methyliminopentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 58076576
3-[5-(4-Fluorophenyl)-5-methoxyiminopentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 75242276
3-[5-(4-Fluorophenyl)-5-hydroxyiminopentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 76534540
(4S)-3-[(5Z)-5-(4-fluorophenyl)-5-hydroxyiminopentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 88532524
(4S)-3-[(5Z)-5-(4-fluorophenyl)-5-methoxyiminopentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 88555386
(4S)-3-[5-(4-fluorophenyl)-5-methoxyiminopentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 123534943

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-diphenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-diphenyl-1,3-oxazolidin-2-one (CID 139947551) is 3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-diphenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-diphenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-diphenyl-1,3-oxazolidin-2-one is O=C1OCC(c2ccccc2)(c2ccccc2)N1C(=O)C1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-diphenyl-1,3-oxazolidin-2-one?
The InChIKey is YUYIZHNNEJOXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O4/c26-20-13-11-17(12-14-20)21-15-22(32-27-21)23(29)28-24(30)31-16-25(28,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22H,15-16H2.
What are the key properties of 3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-diphenyl-1,3-oxazolidin-2-one?
3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-diphenyl-1,3-oxazolidin-2-one has a molecular weight of 430.44 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-diphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 139947551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).