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

C15H14N2O2S2 — CID 119102116

IUPAC5-methyl-N-[2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2ccc(-c3ccsc3)s2)no1
InChIInChI=1S/C15H14N2O2S2/c1-10-8-13(17-19-10)15(18)16-6-4-12-2-3-14(21-12)11-5-7-20-9-11/h2-3,5,7-9H,4,6H2,1H3,(H,16,18)
InChIKeyYORMMSIZVSGBNU-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.75
Rot. Bonds5

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

5-methyl-N-[2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 119102116) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 5-methyl-N-[2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID119102116
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC Name5-methyl-N-[2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2ccc(-c3ccsc3)s2)no1
InChIInChI=1S/C15H14N2O2S2/c1-10-8-13(17-19-10)15(18)16-6-4-12-2-3-14(21-12)11-5-7-20-9-11/h2-3,5,7-9H,4,6H2,1H3,(H,16,18)
InChIKeyYORMMSIZVSGBNU-UHFFFAOYSA-N
XLogP3.75
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 51072498
5-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
CID 91630166
N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]thiophene-3-carboxamide
CID 155800975
N-[2-(furan-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 71798432
N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate
CID 21297353
3-(furan-2-yl)-N-[2-(5-thiophen-3-ylthiophen-2-yl)ethyl]prop-2-enamide
CID 171137145
N-[2-(3-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47009713
5-methyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 91813357
3-[5-[[(5-methyl-1,2-oxazole-3-carbonyl)amino]methyl]thiophen-2-yl]prop-2-enoic acid
CID 77113491
3-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]benzoic acid
CID 63793346
N-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47098800
N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-2-thiophen-3-ylacetamide
CID 119102189

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 119102116) is 5-methyl-N-[2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCCc2ccc(-c3ccsc3)s2)no1.
What is the InChIKey of 5-methyl-N-[2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is YORMMSIZVSGBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c1-10-8-13(17-19-10)15(18)16-6-4-12-2-3-14(21-12)11-5-7-20-9-11/h2-3,5,7-9H,4,6H2,1H3,(H,16,18).
What are the key properties of 5-methyl-N-[2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 119102116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).