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

C18H13F2NO3 — CID 72688991

IUPAC3-[3-[3-(2,3-difluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
SMILESO=C(C=Cc1cccc(F)c1F)c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C18H13F2NO3/c19-15-6-2-3-12(17(15)20)7-8-16(22)13-4-1-5-14(11-13)21-9-10-24-18(21)23/h1-8,11H,9-10H2
InChIKeyFMOBIDUXFOVDNC-UHFFFAOYSA-N
MW329.30 g/mol
LogP3.82
Rot. Bonds4

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

3-[3-[3-(2,3-difluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 72688991) has the molecular formula C18H13F2NO3 and a molecular weight of 329.30 g/mol. Its IUPAC name is 3-[3-[3-(2,3-difluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[3-(2,3-difluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID72688991
Molecular FormulaC18H13F2NO3
Molecular Weight329.30 g/mol
Exact Mass329.09
IUPAC Name3-[3-[3-(2,3-difluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
SMILESO=C(C=Cc1cccc(F)c1F)c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C18H13F2NO3/c19-15-6-2-3-12(17(15)20)7-8-16(22)13-4-1-5-14(11-13)21-9-10-24-18(21)23/h1-8,11H,9-10H2
InChIKeyFMOBIDUXFOVDNC-UHFFFAOYSA-N
XLogP3.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 53.82
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-(3-fluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
CID 78905744
3-[3-[(E)-3-(2-phenylmethoxyphenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
CID 52762129
3-[3-[(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
CID 129407104
3-[3-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
CID 60602506
3-[3-[(E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
CID 60602616
3-(2,3-difluorophenyl)-1-phenylprop-2-en-1-one
CID 72689101
3-[3-[(E)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
CID 47078670
3-[3-[3-[5-(2-nitrophenyl)thiophen-2-yl]prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
CID 75939954
4-[3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-1-enyl]benzoic acid
CID 71937000
3-[3-[3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
CID 75919021
2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetaldehyde
CID 57444342
N-(2-fluoro-5-nitrophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 60528345

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(2,3-difluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[3-(2,3-difluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one (CID 72688991) is 3-[3-[3-(2,3-difluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[3-(2,3-difluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[3-(2,3-difluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one is O=C(C=Cc1cccc(F)c1F)c1cccc(N2CCOC2=O)c1.
What is the InChIKey of 3-[3-[3-(2,3-difluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is FMOBIDUXFOVDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NO3/c19-15-6-2-3-12(17(15)20)7-8-16(22)13-4-1-5-14(11-13)21-9-10-24-18(21)23/h1-8,11H,9-10H2.
What are the key properties of 3-[3-[3-(2,3-difluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one?
3-[3-[3-(2,3-difluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 329.30 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(2,3-difluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 72688991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).