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

C19H17NO4 — CID 175532791

IUPAC3-[(4-methoxyphenyl)methyl]-5-phenacylidene-1,3-oxazolidin-2-one
SMILESCOc1ccc(CN2CC(=CC(=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
InChIKeyCHFGACFIIKPBAF-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.41
Rot. Bonds5

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

3-[(4-methoxyphenyl)methyl]-5-phenacylidene-1,3-oxazolidin-2-one (PubChem CID 175532791) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-5-phenacylidene-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-5-phenacylidene-1,3-oxazolidin-2-one
PubChem CID175532791
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name3-[(4-methoxyphenyl)methyl]-5-phenacylidene-1,3-oxazolidin-2-one
SMILESCOc1ccc(CN2CC(=CC(=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
InChIKeyCHFGACFIIKPBAF-UHFFFAOYSA-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'}

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Related Compounds

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N-(4-methoxybenzyl)phthalimide
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N-(4-methoxyphenethyl)benzamide
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3-Pyrrolidinecarboxylic acid, 1-(4-methoxybenzoyl)-2-oxo-4-phenyl-, ethyl ester
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N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
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N,N-Diethyl-para-anisamide
CID 231459
(4-Methoxyphenyl)(4-phenylazepan-1-yl)methanone
CID 45269321
Benzamide, N,N'-(2,2-dimethyl-1,3-propanediyl)bis(4-methoxy-
CID 2850150
3-(4-methoxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
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1-(4-Methoxybenzoyl)-4-phenylpyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-5-phenacylidene-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-5-phenacylidene-1,3-oxazolidin-2-one (CID 175532791) is 3-[(4-methoxyphenyl)methyl]-5-phenacylidene-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-5-phenacylidene-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-5-phenacylidene-1,3-oxazolidin-2-one is COc1ccc(CN2CC(=CC(=O)c3ccccc3)OC2=O)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-5-phenacylidene-1,3-oxazolidin-2-one?
The InChIKey is CHFGACFIIKPBAF-UHFFFAOYSA-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.
What are the key properties of 3-[(4-methoxyphenyl)methyl]-5-phenacylidene-1,3-oxazolidin-2-one?
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 3-[(4-methoxyphenyl)methyl]-5-phenacylidene-1,3-oxazolidin-2-one is sourced from PubChem (CID 175532791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).