3-[(E)-2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one

C18H14FNO3 — CID 166439801

IUPAC3-[(E)-2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)/C(=C/c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H14FNO3/c19-15-8-6-14(7-9-15)16(12-13-4-2-1-3-5-13)17(21)20-10-11-23-18(20)22/h1-9,12H,10-11H2/b16-12+
InChIKeyNMOWZDMJXGYUQP-FOWTUZBSSA-N
MW311.31 g/mol
LogP3.35
Rot. Bonds3

About 3-[(E)-2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one

3-[(E)-2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one (PubChem CID 166439801) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is 3-[(E)-2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
PubChem CID166439801
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC Name3-[(E)-2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)/C(=C/c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H14FNO3/c19-15-8-6-14(7-9-15)16(12-13-4-2-1-3-5-13)17(21)20-10-11-23-18(20)22/h1-9,12H,10-11H2/b16-12+
InChIKeyNMOWZDMJXGYUQP-FOWTUZBSSA-N
XLogP3.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(6-Phenylhexanoyl) oxazolidin-2-one
CID 101746948
3-[6-[3-(Trifluoromethyl)phenyl]hexanoyl]-1,3-oxazolidin-2-one
CID 145976181
3-[5-(4-Fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one
CID 71098231
3-[6-(3-Fluorophenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141210
3-[6-[4-(Trifluoromethyl)phenyl]hexanoyl]-1,3-oxazolidin-2-one
CID 145970283
3-Benzoyl-1,3-oxazolidin-2-one
CID 839850
3-[1-(2-Fluorobenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710656
1-benzyl-4-(4-fluorophenyl)-3-methoxy-2H-pyrrol-5-one
CID 132459022
3-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 10657387
R62Tjm8EK3
CID 10915654
3-[2-(4-Fluorophenyl)acetyl]-1,3-oxazolidin-2-one
CID 11020503
(4R)-4-benzyl-3-[(2S,3R)-2-benzyl-3-fluoropent-4-enoyl]-1,3-oxazolidin-2-one
CID 11566827

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one (CID 166439801) is 3-[(E)-2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one is O=C1OCCN1C(=O)/C(=C/c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 3-[(E)-2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is NMOWZDMJXGYUQP-FOWTUZBSSA-N. The full InChI is InChI=1S/C18H14FNO3/c19-15-8-6-14(7-9-15)16(12-13-4-2-1-3-5-13)17(21)20-10-11-23-18(20)22/h1-9,12H,10-11H2/b16-12+.
What are the key properties of 3-[(E)-2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one?
3-[(E)-2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 311.31 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 166439801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).