5-(4-methoxyanilino)-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile

C20H17N3O3 — CID 6200348

IUPAC5-(4-methoxyanilino)-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
SMILESCOc1ccc(Nc2oc(/C=C/c3cccc(OC)c3)nc2C#N)cc1
InChIInChI=1S/C20H17N3O3/c1-24-16-9-7-15(8-10-16)22-20-18(13-21)23-19(26-20)11-6-14-4-3-5-17(12-14)25-2/h3-12,22H,1-2H3/b11-6+
InChIKeySVBIWUHWWSBPFZ-IZZDOVSWSA-N
MW347.37 g/mol
LogP4.48
Rot. Bonds6

About 5-(4-methoxyanilino)-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile

5-(4-methoxyanilino)-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile (PubChem CID 6200348) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 5-(4-methoxyanilino)-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(4-methoxyanilino)-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
PubChem CID6200348
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name5-(4-methoxyanilino)-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
SMILESCOc1ccc(Nc2oc(/C=C/c3cccc(OC)c3)nc2C#N)cc1
InChIInChI=1S/C20H17N3O3/c1-24-16-9-7-15(8-10-16)22-20-18(13-21)23-19(26-20)11-6-14-4-3-5-17(12-14)25-2/h3-12,22H,1-2H3/b11-6+
InChIKeySVBIWUHWWSBPFZ-IZZDOVSWSA-N
XLogP4.48
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(4-methoxyanilino)-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile 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 5-(4-methoxyanilino)-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(4-methoxyanilino)-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile (CID 6200348) is 5-(4-methoxyanilino)-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(4-methoxyanilino)-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(4-methoxyanilino)-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile is COc1ccc(Nc2oc(/C=C/c3cccc(OC)c3)nc2C#N)cc1.
What is the InChIKey of 5-(4-methoxyanilino)-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile?
The InChIKey is SVBIWUHWWSBPFZ-IZZDOVSWSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-24-16-9-7-15(8-10-16)22-20-18(13-21)23-19(26-20)11-6-14-4-3-5-17(12-14)25-2/h3-12,22H,1-2H3/b11-6+.
What are the key properties of 5-(4-methoxyanilino)-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile?
5-(4-methoxyanilino)-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile has a molecular weight of 347.37 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyanilino)-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 6200348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).