N-[(4-methylsulfanylphenyl)methyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

C16H14N2O2S2 — CID 46347115

IUPACN-[(4-methylsulfanylphenyl)methyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCSc1ccc(CNC(=O)c2ncoc2-c2cccs2)cc1
InChIInChI=1S/C16H14N2O2S2/c1-21-12-6-4-11(5-7-12)9-17-16(19)14-15(20-10-18-14)13-3-2-8-22-13/h2-8,10H,9H2,1H3,(H,17,19)
InChIKeyYMWKLTDJDIHUOW-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.05
Rot. Bonds5

About N-[(4-methylsulfanylphenyl)methyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

N-[(4-methylsulfanylphenyl)methyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 46347115) has the molecular formula C16H14N2O2S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[(4-methylsulfanylphenyl)methyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methylsulfanylphenyl)methyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID46347115
Molecular FormulaC16H14N2O2S2
Molecular Weight330.43 g/mol
Exact Mass330.05
IUPAC NameN-[(4-methylsulfanylphenyl)methyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCSc1ccc(CNC(=O)c2ncoc2-c2cccs2)cc1
InChIInChI=1S/C16H14N2O2S2/c1-21-12-6-4-11(5-7-12)9-17-16(19)14-15(20-10-18-14)13-3-2-8-22-13/h2-8,10H,9H2,1H3,(H,17,19)
InChIKeyYMWKLTDJDIHUOW-UHFFFAOYSA-N
XLogP4.05
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-methylsulfanylphenyl)methyl]-5-thiophen-2-yl-1,3-oxazole-4-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 N-[(4-methylsulfanylphenyl)methyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(4-methylsulfanylphenyl)methyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 46347115) is N-[(4-methylsulfanylphenyl)methyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(4-methylsulfanylphenyl)methyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(4-methylsulfanylphenyl)methyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is CSc1ccc(CNC(=O)c2ncoc2-c2cccs2)cc1.
What is the InChIKey of N-[(4-methylsulfanylphenyl)methyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is YMWKLTDJDIHUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S2/c1-21-12-6-4-11(5-7-12)9-17-16(19)14-15(20-10-18-14)13-3-2-8-22-13/h2-8,10H,9H2,1H3,(H,17,19).
What are the key properties of N-[(4-methylsulfanylphenyl)methyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
N-[(4-methylsulfanylphenyl)methyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfanylphenyl)methyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46347115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).