N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

C13H13N3O2S — CID 1247253

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1sc(C)c(C)c1C#N
InChIInChI=1S/C13H13N3O2S/c1-6-9(4)19-13(10(6)5-14)15-12(17)11-7(2)16-18-8(11)3/h1-4H3,(H,15,17)
InChIKeyRVKZWCGQLPGETM-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.09
Rot. Bonds2

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 1247253) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID1247253
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1sc(C)c(C)c1C#N
InChIInChI=1S/C13H13N3O2S/c1-6-9(4)19-13(10(6)5-14)15-12(17)11-7(2)16-18-8(11)3/h1-4H3,(H,15,17)
InChIKeyRVKZWCGQLPGETM-UHFFFAOYSA-N
XLogP3.09
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 1247253) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1sc(C)c(C)c1C#N.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is RVKZWCGQLPGETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-6-9(4)19-13(10(6)5-14)15-12(17)11-7(2)16-18-8(11)3/h1-4H3,(H,15,17).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1247253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).