5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide

C11H12N2O2S — CID 51072498

IUPAC5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2cccs2)no1
InChIInChI=1S/C11H12N2O2S/c1-8-7-10(13-15-8)11(14)12-5-4-9-3-2-6-16-9/h2-3,6-7H,4-5H2,1H3,(H,12,14)
InChIKeyQQFXMTJXMIGBBR-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.02
Rot. Bonds4

About 5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide

5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 51072498) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
PubChem CID51072498
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2cccs2)no1
InChIInChI=1S/C11H12N2O2S/c1-8-7-10(13-15-8)11(14)12-5-4-9-3-2-6-16-9/h2-3,6-7H,4-5H2,1H3,(H,12,14)
InChIKeyQQFXMTJXMIGBBR-UHFFFAOYSA-N
XLogP2.02
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate
CID 21297353
1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 45497207
N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 62044830
6-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62240294
N-[2-(3-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47009713
5-methyl-N-[2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 119102116
5-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 51075751
6-chloro-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62233796
N-[2-(furan-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 71798432
N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide
CID 110699104
N-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47098800
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
CID 71789714

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide (CID 51072498) is 5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCCc2cccs2)no1.
What is the InChIKey of 5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is QQFXMTJXMIGBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-8-7-10(13-15-8)11(14)12-5-4-9-3-2-6-16-9/h2-3,6-7H,4-5H2,1H3,(H,12,14).
What are the key properties of 5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51072498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).