1-(4-fluorophenyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,2-oxazol-3-yl]pentane-1,5-dione

C20H18FNO3 — CID 141186836

IUPAC1-(4-fluorophenyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,2-oxazol-3-yl]pentane-1,5-dione
SMILESO=C(CCCC(=O)c1ccc(F)cc1)C1=NOC[C@H]1c1ccccc1
InChIInChI=1S/C20H18FNO3/c21-16-11-9-15(10-12-16)18(23)7-4-8-19(24)20-17(13-25-22-20)14-5-2-1-3-6-14/h1-3,5-6,9-12,17H,4,7-8,13H2/t17-/m0/s1
InChIKeyASZDDWLOQFYGKH-KRWDZBQOSA-N
MW339.37 g/mol
LogP3.92
Rot. Bonds7

About 1-(4-fluorophenyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,2-oxazol-3-yl]pentane-1,5-dione

1-(4-fluorophenyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,2-oxazol-3-yl]pentane-1,5-dione (PubChem CID 141186836) has the molecular formula C20H18FNO3 and a molecular weight of 339.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,2-oxazol-3-yl]pentane-1,5-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,2-oxazol-3-yl]pentane-1,5-dione
PubChem CID141186836
Molecular FormulaC20H18FNO3
Molecular Weight339.37 g/mol
Exact Mass339.13
IUPAC Name1-(4-fluorophenyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,2-oxazol-3-yl]pentane-1,5-dione
SMILESO=C(CCCC(=O)c1ccc(F)cc1)C1=NOC[C@H]1c1ccccc1
InChIInChI=1S/C20H18FNO3/c21-16-11-9-15(10-12-16)18(23)7-4-8-19(24)20-17(13-25-22-20)14-5-2-1-3-6-14/h1-3,5-6,9-12,17H,4,7-8,13H2/t17-/m0/s1
InChIKeyASZDDWLOQFYGKH-KRWDZBQOSA-N
XLogP3.92
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,2-oxazol-3-yl]pentane-1,5-dione with MolForge

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Related Compounds

4-(4-Fluorobenzoyl)-3-phenyl-1,2-oxazol-5(4H)-one
CID 15241761
3-Phenyl-5-phenacyl-2-isoxazoline
CID 11842091
Xeppcvkkxlbyar-uhfffaoysa-
CID 13334008
1-(4-Fluorophenyl)-2-[5-(4-fluorophenyl)-4,5-dihydro-3-isoxazolyl]-ethanone
CID 129799955
3a,4,5,6,7,7a-Hexahydro-1,2-benzoxazol-3-yl(phenyl)methanone
CID 85954010
(5-Hexyl-4,5-dihydro-1,2-oxazol-3-yl)-phenylmethanone
CID 102009648
4-(3-Fluorobenzoyl)-3-phenyl-5-isoxazolone
CID 102064434
4-(2-Fluorobenzoyl)-3-phenyl-5-isoxazolone
CID 102064435
1-[3-(2-Fluoro-4-methylphenyl)-5-(1-oxa-2-azaspiro[4.4]non-2-en-3-yl)phenyl]-3-methylbutan-1-one
CID 58096033
1-[3-(2-fluoro-4-methylphenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)phenyl]-3-methylbutan-1-one
CID 58096042
1-[3-(2,4-difluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)phenyl]-3-methylbutan-1-one
CID 58096091
1-[3-(2-Fluoro-4-methylphenyl)-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)phenyl]-3-methylbutan-1-one
CID 58096096

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,2-oxazol-3-yl]pentane-1,5-dione?
The IUPAC name of 1-(4-fluorophenyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,2-oxazol-3-yl]pentane-1,5-dione (CID 141186836) is 1-(4-fluorophenyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,2-oxazol-3-yl]pentane-1,5-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,2-oxazol-3-yl]pentane-1,5-dione?
The canonical SMILES for 1-(4-fluorophenyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,2-oxazol-3-yl]pentane-1,5-dione is O=C(CCCC(=O)c1ccc(F)cc1)C1=NOC[C@H]1c1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,2-oxazol-3-yl]pentane-1,5-dione?
The InChIKey is ASZDDWLOQFYGKH-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H18FNO3/c21-16-11-9-15(10-12-16)18(23)7-4-8-19(24)20-17(13-25-22-20)14-5-2-1-3-6-14/h1-3,5-6,9-12,17H,4,7-8,13H2/t17-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,2-oxazol-3-yl]pentane-1,5-dione?
1-(4-fluorophenyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,2-oxazol-3-yl]pentane-1,5-dione has a molecular weight of 339.37 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,2-oxazol-3-yl]pentane-1,5-dione is sourced from PubChem (CID 141186836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).