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

C15H12N2O2S — CID 2745202

IUPACN-(4-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1
InChIInChI=1S/C15H12N2O2S/c1-10-4-6-11(7-5-10)16-15(18)12-9-13(19-17-12)14-3-2-8-20-14/h2-9H,1H3,(H,16,18)
InChIKeyZQVMDFRLTBQTRH-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.96
Rot. Bonds3

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

N-(4-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 2745202) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID2745202
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC NameN-(4-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1
InChIInChI=1S/C15H12N2O2S/c1-10-4-6-11(7-5-10)16-15(18)12-9-13(19-17-12)14-3-2-8-20-14/h2-9H,1H3,(H,16,18)
InChIKeyZQVMDFRLTBQTRH-UHFFFAOYSA-N
XLogP3.96
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 2745202) is N-(4-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is Cc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1.
What is the InChIKey of N-(4-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is ZQVMDFRLTBQTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-10-4-6-11(7-5-10)16-15(18)12-9-13(19-17-12)14-3-2-8-20-14/h2-9H,1H3,(H,16,18).
What are the key properties of N-(4-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(4-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2745202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).