5-(4-methoxyphenyl)-N-(2-methylsulfanylphenyl)-1,3-oxazole-2-carboxamide

C18H16N2O3S — CID 16950029

IUPAC5-(4-methoxyphenyl)-N-(2-methylsulfanylphenyl)-1,3-oxazole-2-carboxamide
SMILESCOc1ccc(-c2cnc(C(=O)Nc3ccccc3SC)o2)cc1
InChIInChI=1S/C18H16N2O3S/c1-22-13-9-7-12(8-10-13)15-11-19-18(23-15)17(21)20-14-5-3-4-6-16(14)24-2/h3-11H,1-2H3,(H,20,21)
InChIKeyMSGDZPXCWONOBK-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.32
Rot. Bonds5

About 5-(4-methoxyphenyl)-N-(2-methylsulfanylphenyl)-1,3-oxazole-2-carboxamide

5-(4-methoxyphenyl)-N-(2-methylsulfanylphenyl)-1,3-oxazole-2-carboxamide (PubChem CID 16950029) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-(2-methylsulfanylphenyl)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-(2-methylsulfanylphenyl)-1,3-oxazole-2-carboxamide
PubChem CID16950029
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name5-(4-methoxyphenyl)-N-(2-methylsulfanylphenyl)-1,3-oxazole-2-carboxamide
SMILESCOc1ccc(-c2cnc(C(=O)Nc3ccccc3SC)o2)cc1
InChIInChI=1S/C18H16N2O3S/c1-22-13-9-7-12(8-10-13)15-11-19-18(23-15)17(21)20-14-5-3-4-6-16(14)24-2/h3-11H,1-2H3,(H,20,21)
InChIKeyMSGDZPXCWONOBK-UHFFFAOYSA-N
XLogP4.32
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-methoxyphenyl)-N-(2-methylsulfanylphenyl)-1,3-oxazole-2-carboxamide 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-methoxyphenyl)-N-(2-methylsulfanylphenyl)-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-(2-methylsulfanylphenyl)-1,3-oxazole-2-carboxamide (CID 16950029) is 5-(4-methoxyphenyl)-N-(2-methylsulfanylphenyl)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-(2-methylsulfanylphenyl)-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-(2-methylsulfanylphenyl)-1,3-oxazole-2-carboxamide is COc1ccc(-c2cnc(C(=O)Nc3ccccc3SC)o2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-(2-methylsulfanylphenyl)-1,3-oxazole-2-carboxamide?
The InChIKey is MSGDZPXCWONOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-22-13-9-7-12(8-10-13)15-11-19-18(23-15)17(21)20-14-5-3-4-6-16(14)24-2/h3-11H,1-2H3,(H,20,21).
What are the key properties of 5-(4-methoxyphenyl)-N-(2-methylsulfanylphenyl)-1,3-oxazole-2-carboxamide?
5-(4-methoxyphenyl)-N-(2-methylsulfanylphenyl)-1,3-oxazole-2-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-(2-methylsulfanylphenyl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 16950029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).