3-[3-[3-(3-fluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one

C18H14FNO3 — CID 78905744

IUPAC3-[3-[3-(3-fluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
SMILESO=C(C=Cc1cccc(F)c1)c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C18H14FNO3/c19-15-5-1-3-13(11-15)7-8-17(21)14-4-2-6-16(12-14)20-9-10-23-18(20)22/h1-8,11-12H,9-10H2
InChIKeyVJGMBHAYYAZIKW-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.68
Rot. Bonds4

About 3-[3-[3-(3-fluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one

3-[3-[3-(3-fluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 78905744) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is 3-[3-[3-(3-fluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[3-(3-fluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID78905744
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC Name3-[3-[3-(3-fluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
SMILESO=C(C=Cc1cccc(F)c1)c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C18H14FNO3/c19-15-5-1-3-13(11-15)7-8-17(21)14-4-2-6-16(12-14)20-9-10-23-18(20)22/h1-8,11-12H,9-10H2
InChIKeyVJGMBHAYYAZIKW-UHFFFAOYSA-N
XLogP3.68
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[3-[3-(2,3-difluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
CID 72688991
3-[3-[(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
CID 129407104
3-[3-[(E)-3-(2-phenylmethoxyphenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
CID 52762129
4-[3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-1-enyl]benzoic acid
CID 71937000
3-[3-[(E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
CID 60602616
3-[3-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
CID 60602506
(1R,2R,6S,7R)-4-[3-[(Z)-3-[3-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]-3-oxoprop-1-enyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 129431846
3-[[3-[(E)-3-phenylprop-2-enoyl]phenyl]methyl]-1,3-oxazolidin-2-one
CID 21180826
3-(3-fluorophenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 3531094
3-[3-[3-[5-(2-nitrophenyl)thiophen-2-yl]prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
CID 75939954
3-[3-[(E)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
CID 47078670
(E)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-enoic acid
CID 115342398

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(3-fluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[3-(3-fluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one (CID 78905744) is 3-[3-[3-(3-fluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[3-(3-fluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[3-(3-fluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one is O=C(C=Cc1cccc(F)c1)c1cccc(N2CCOC2=O)c1.
What is the InChIKey of 3-[3-[3-(3-fluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is VJGMBHAYYAZIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3/c19-15-5-1-3-13(11-15)7-8-17(21)14-4-2-6-16(12-14)20-9-10-23-18(20)22/h1-8,11-12H,9-10H2.
What are the key properties of 3-[3-[3-(3-fluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one?
3-[3-[3-(3-fluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 311.31 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(3-fluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 78905744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).