2-[[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-phenacylamino]-1-phenylethanone

C29H26N2O4 — CID 139226892

IUPAC2-[[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-phenacylamino]-1-phenylethanone
SMILESCOc1ccc(/C=C/c2onc(C)c2N(CC(=O)c2ccccc2)CC(=O)c2ccccc2)cc1
InChIInChI=1S/C29H26N2O4/c1-21-29(28(35-30-21)18-15-22-13-16-25(34-2)17-14-22)31(19-26(32)23-9-5-3-6-10-23)20-27(33)24-11-7-4-8-12-24/h3-18H,19-20H2,1-2H3/b18-15+
InChIKeyUYXSOKCYJLFCCP-OBGWFSINSA-N
MW466.54 g/mol
LogP5.73
Rot. Bonds10

About 2-[[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-phenacylamino]-1-phenylethanone

2-[[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-phenacylamino]-1-phenylethanone (PubChem CID 139226892) has the molecular formula C29H26N2O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is 2-[[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-phenacylamino]-1-phenylethanone.

Molecular Properties

Compound Name2-[[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-phenacylamino]-1-phenylethanone
PubChem CID139226892
Molecular FormulaC29H26N2O4
Molecular Weight466.54 g/mol
Exact Mass466.19
IUPAC Name2-[[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-phenacylamino]-1-phenylethanone
SMILESCOc1ccc(/C=C/c2onc(C)c2N(CC(=O)c2ccccc2)CC(=O)c2ccccc2)cc1
InChIInChI=1S/C29H26N2O4/c1-21-29(28(35-30-21)18-15-22-13-16-25(34-2)17-14-22)31(19-26(32)23-9-5-3-6-10-23)20-27(33)24-11-7-4-8-12-24/h3-18H,19-20H2,1-2H3/b18-15+
InChIKeyUYXSOKCYJLFCCP-OBGWFSINSA-N
XLogP5.73
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-phenacylamino]-1-phenylethanone with MolForge

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Related Compounds

5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine
CID 102467999
3-N,5-N-bis[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 11657690
2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazol-1-yl]-1-phenylethanone
CID 16999755
(2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 10539553
(E)-3-(4-methoxyphenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enamide
CID 50874817
[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (Z)-3-(4-methoxyphenyl)prop-2-enoate
CID 51521387
N-[5-[(Z)-2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394527
1-(4-methoxyphenyl)-2-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]ethanone;hydrobromide
CID 126959385
(5Z)-5-benzylidene-3-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2-methylimino-1,3-thiazolidin-4-one
CID 11258992
ethyl 3-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2-methylimino-1,3-thiazole-4-carboxylate
CID 11395453
(2Z,4E)-2-amino-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 46223650
2-[2-(4-methoxyphenyl)ethenyl]acridine-9-carboxylic acid
CID 152754992

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-phenacylamino]-1-phenylethanone?
The IUPAC name of 2-[[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-phenacylamino]-1-phenylethanone (CID 139226892) is 2-[[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-phenacylamino]-1-phenylethanone.
What is the SMILES notation for 2-[[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-phenacylamino]-1-phenylethanone?
The canonical SMILES for 2-[[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-phenacylamino]-1-phenylethanone is COc1ccc(/C=C/c2onc(C)c2N(CC(=O)c2ccccc2)CC(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-phenacylamino]-1-phenylethanone?
The InChIKey is UYXSOKCYJLFCCP-OBGWFSINSA-N. The full InChI is InChI=1S/C29H26N2O4/c1-21-29(28(35-30-21)18-15-22-13-16-25(34-2)17-14-22)31(19-26(32)23-9-5-3-6-10-23)20-27(33)24-11-7-4-8-12-24/h3-18H,19-20H2,1-2H3/b18-15+.
What are the key properties of 2-[[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-phenacylamino]-1-phenylethanone?
2-[[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-phenacylamino]-1-phenylethanone has a molecular weight of 466.54 g/mol, XLogP of 5.73, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-phenacylamino]-1-phenylethanone is sourced from PubChem (CID 139226892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).