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

C17H16N2O2S — CID 3232226

IUPACN-[2-(3-methylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1cccc(CCNC(=O)c2ncoc2-c2cccs2)c1
InChIInChI=1S/C17H16N2O2S/c1-12-4-2-5-13(10-12)7-8-18-17(20)15-16(21-11-19-15)14-6-3-9-22-14/h2-6,9-11H,7-8H2,1H3,(H,18,20)
InChIKeySRBNAJKHODKZOM-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.68
Rot. Bonds5

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

N-[2-(3-methylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 3232226) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID3232226
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-[2-(3-methylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1cccc(CCNC(=O)c2ncoc2-c2cccs2)c1
InChIInChI=1S/C17H16N2O2S/c1-12-4-2-5-13(10-12)7-8-18-17(20)15-16(21-11-19-15)14-6-3-9-22-14/h2-6,9-11H,7-8H2,1H3,(H,18,20)
InChIKeySRBNAJKHODKZOM-UHFFFAOYSA-N
XLogP3.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(3-methylphenyl)ethyl]-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-[2-(3-methylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 3232226) is N-[2-(3-methylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is Cc1cccc(CCNC(=O)c2ncoc2-c2cccs2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is SRBNAJKHODKZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-12-4-2-5-13(10-12)7-8-18-17(20)15-16(21-11-19-15)14-6-3-9-22-14/h2-6,9-11H,7-8H2,1H3,(H,18,20).
What are the key properties of N-[2-(3-methylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
N-[2-(3-methylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3232226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).