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

C15H14N2O2S2 — CID 46097008

IUPAC3-methyl-5-thiophen-2-yl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2cccs2)c1C(=O)NCCc1cccs1
InChIInChI=1S/C15H14N2O2S2/c1-10-13(14(19-17-10)12-5-3-9-21-12)15(18)16-7-6-11-4-2-8-20-11/h2-5,8-9H,6-7H2,1H3,(H,16,18)
InChIKeyFAFCWAPJAPUDBY-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.75
Rot. Bonds5

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

3-methyl-5-thiophen-2-yl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide (PubChem CID 46097008) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-methyl-5-thiophen-2-yl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-thiophen-2-yl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide
PubChem CID46097008
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC Name3-methyl-5-thiophen-2-yl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2cccs2)c1C(=O)NCCc1cccs1
InChIInChI=1S/C15H14N2O2S2/c1-10-13(14(19-17-10)12-5-3-9-21-12)15(18)16-7-6-11-4-2-8-20-11/h2-5,8-9H,6-7H2,1H3,(H,16,18)
InChIKeyFAFCWAPJAPUDBY-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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-thiophen-2-yl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-5-thiophen-2-yl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide (CID 46097008) is 3-methyl-5-thiophen-2-yl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-5-thiophen-2-yl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-5-thiophen-2-yl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide is Cc1noc(-c2cccs2)c1C(=O)NCCc1cccs1.
What is the InChIKey of 3-methyl-5-thiophen-2-yl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is FAFCWAPJAPUDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c1-10-13(14(19-17-10)12-5-3-9-21-12)15(18)16-7-6-11-4-2-8-20-11/h2-5,8-9H,6-7H2,1H3,(H,16,18).
What are the key properties of 3-methyl-5-thiophen-2-yl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide?
3-methyl-5-thiophen-2-yl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-4-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 3-methyl-5-thiophen-2-yl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46097008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).