(5E)-3-[(4-methoxyphenyl)methyl]-5-phenacylidene-1,3-oxazolidin-2-one

C19H17NO4 — CID 168866638

IUPAC(5E)-3-[(4-methoxyphenyl)methyl]-5-phenacylidene-1,3-oxazolidin-2-one
SMILESCOc1ccc(CN2C/C(=C\C(=O)c3ccccc3)OC2=O)cc1
InChIInChI=1S/C19H17NO4/c1-23-16-9-7-14(8-10-16)12-20-13-17(24-19(20)22)11-18(21)15-5-3-2-4-6-15/h2-11H,12-13H2,1H3/b17-11+
InChIKeyCHFGACFIIKPBAF-GZTJUZNOSA-N
MW323.35 g/mol
LogP3.41
Rot. Bonds5

About (5E)-3-[(4-methoxyphenyl)methyl]-5-phenacylidene-1,3-oxazolidin-2-one

(5E)-3-[(4-methoxyphenyl)methyl]-5-phenacylidene-1,3-oxazolidin-2-one (PubChem CID 168866638) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is (5E)-3-[(4-methoxyphenyl)methyl]-5-phenacylidene-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5E)-3-[(4-methoxyphenyl)methyl]-5-phenacylidene-1,3-oxazolidin-2-one
PubChem CID168866638
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name(5E)-3-[(4-methoxyphenyl)methyl]-5-phenacylidene-1,3-oxazolidin-2-one
SMILESCOc1ccc(CN2C/C(=C\C(=O)c3ccccc3)OC2=O)cc1
InChIInChI=1S/C19H17NO4/c1-23-16-9-7-14(8-10-16)12-20-13-17(24-19(20)22)11-18(21)15-5-3-2-4-6-15/h2-11H,12-13H2,1H3/b17-11+
InChIKeyCHFGACFIIKPBAF-GZTJUZNOSA-N
XLogP3.41
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5E)-3-[(4-methoxyphenyl)methyl]-5-phenacylidene-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5E)-3-[(4-methoxyphenyl)methyl]-5-phenacylidene-1,3-oxazolidin-2-one?
The IUPAC name of (5E)-3-[(4-methoxyphenyl)methyl]-5-phenacylidene-1,3-oxazolidin-2-one (CID 168866638) is (5E)-3-[(4-methoxyphenyl)methyl]-5-phenacylidene-1,3-oxazolidin-2-one.
What is the SMILES notation for (5E)-3-[(4-methoxyphenyl)methyl]-5-phenacylidene-1,3-oxazolidin-2-one?
The canonical SMILES for (5E)-3-[(4-methoxyphenyl)methyl]-5-phenacylidene-1,3-oxazolidin-2-one is COc1ccc(CN2C/C(=C\C(=O)c3ccccc3)OC2=O)cc1.
What is the InChIKey of (5E)-3-[(4-methoxyphenyl)methyl]-5-phenacylidene-1,3-oxazolidin-2-one?
The InChIKey is CHFGACFIIKPBAF-GZTJUZNOSA-N. The full InChI is InChI=1S/C19H17NO4/c1-23-16-9-7-14(8-10-16)12-20-13-17(24-19(20)22)11-18(21)15-5-3-2-4-6-15/h2-11H,12-13H2,1H3/b17-11+.
What are the key properties of (5E)-3-[(4-methoxyphenyl)methyl]-5-phenacylidene-1,3-oxazolidin-2-one?
(5E)-3-[(4-methoxyphenyl)methyl]-5-phenacylidene-1,3-oxazolidin-2-one has a molecular weight of 323.35 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-[(4-methoxyphenyl)methyl]-5-phenacylidene-1,3-oxazolidin-2-one is sourced from PubChem (CID 168866638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).