3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one

C20H18FNO3 — CID 67259946

IUPAC3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C(CCC=Cc1ccc(F)cc1)N1C(=O)OCC1c1ccccc1
InChIInChI=1S/C20H18FNO3/c21-17-12-10-15(11-13-17)6-4-5-9-19(23)22-18(14-25-20(22)24)16-7-2-1-3-8-16/h1-4,6-8,10-13,18H,5,9,14H2
InChIKeyRIQXORLEHBRYEJ-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.34
Rot. Bonds5

About 3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one

3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 67259946) has the molecular formula C20H18FNO3 and a molecular weight of 339.37 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID67259946
Molecular FormulaC20H18FNO3
Molecular Weight339.37 g/mol
Exact Mass339.13
IUPAC Name3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C(CCC=Cc1ccc(F)cc1)N1C(=O)OCC1c1ccccc1
InChIInChI=1S/C20H18FNO3/c21-17-12-10-15(11-13-17)6-4-5-9-19(23)22-18(14-25-20(22)24)16-7-2-1-3-8-16/h1-4,6-8,10-13,18H,5,9,14H2
InChIKeyRIQXORLEHBRYEJ-UHFFFAOYSA-N
XLogP4.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 67259947
3-[3-(4-fluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 72797044
(4R)-3-[(3S)-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 59063674
dichloromethane;1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione
CID 174975371
(4S)-3-[(Z)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 67991559
(4S)-3-[(5E)-5-(4-fluorophenyl)-5-methoxyiminopentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 46932815
(4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 118888246
(4R)-4-phenyl-3-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one
CID 68991695
3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;ethane
CID 144871050
3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 67991997
(4S)-3-[(3R)-3-(4-fluorophenyl)-3-(4-hydroxycyclohexyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 118373761
(4S)-3-[(E)-hex-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 101031105

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 67259946) is 3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one is O=C(CCC=Cc1ccc(F)cc1)N1C(=O)OCC1c1ccccc1.
What is the InChIKey of 3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is RIQXORLEHBRYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO3/c21-17-12-10-15(11-13-17)6-4-5-9-19(23)22-18(14-25-20(22)24)16-7-2-1-3-8-16/h1-4,6-8,10-13,18H,5,9,14H2.
What are the key properties of 3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 339.37 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67259946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).