2-(4-methoxyphenyl)-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile

C18H15N3O2 — CID 23736098

IUPAC2-(4-methoxyphenyl)-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile
SMILESCOc1ccc(-c2nc(C#N)c(Nc3ccc(C)cc3)o2)cc1
InChIInChI=1S/C18H15N3O2/c1-12-3-7-14(8-4-12)20-18-16(11-19)21-17(23-18)13-5-9-15(22-2)10-6-13/h3-10,20H,1-2H3
InChIKeyCSGHZNQHHDJYQI-UHFFFAOYSA-N
MW305.34 g/mol
LogP4.27
Rot. Bonds4

About 2-(4-methoxyphenyl)-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile

2-(4-methoxyphenyl)-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile (PubChem CID 23736098) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile
PubChem CID23736098
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name2-(4-methoxyphenyl)-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile
SMILESCOc1ccc(-c2nc(C#N)c(Nc3ccc(C)cc3)o2)cc1
InChIInChI=1S/C18H15N3O2/c1-12-3-7-14(8-4-12)20-18-16(11-19)21-17(23-18)13-5-9-15(22-2)10-6-13/h3-10,20H,1-2H3
InChIKeyCSGHZNQHHDJYQI-UHFFFAOYSA-N
XLogP4.27
TPSA71.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxyphenyl)-5-(4-methylanilino)-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

Related Compounds

2-(4-tert-butylphenyl)-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile
CID 18822695
5-(4-ethoxyanilino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 892137
5-(1,3-benzodioxol-5-ylamino)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 2372875
2-(3,4-dimethoxyphenyl)-5-(4-ethoxyanilino)-1,3-oxazole-4-carbonitrile
CID 18822660
5-(4-ethoxyanilino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 18822730
2-(4-methoxyphenyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile
CID 2941177
2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile
CID 16646592
5-(4-methoxyanilino)-2-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1,3-oxazole-4-carbonitrile
CID 42589068
2-(4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 17012723
5-[(4-fluorophenyl)methylamino]-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 2408635
3-[[4-cyano-2-(4-methoxyphenyl)-1,3-oxazol-5-yl]amino]propanoic acid
CID 46300082
[4-cyano-2-(4-methylphenyl)-1,3-oxazol-5-yl]-trimethylazanium
CID 66486239

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(4-methoxyphenyl)-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile (CID 23736098) is 2-(4-methoxyphenyl)-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(4-methoxyphenyl)-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile is COc1ccc(-c2nc(C#N)c(Nc3ccc(C)cc3)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile?
The InChIKey is CSGHZNQHHDJYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-12-3-7-14(8-4-12)20-18-16(11-19)21-17(23-18)13-5-9-15(22-2)10-6-13/h3-10,20H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile?
2-(4-methoxyphenyl)-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile has a molecular weight of 305.34 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 23736098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).