N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-propyl-1,2-oxazole-3-carboxamide

C15H17N3O2S — CID 5309667

IUPACN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2sc(C)c(CC)c2C#N)no1
InChIInChI=1S/C15H17N3O2S/c1-4-6-10-7-13(18-20-10)14(19)17-15-12(8-16)11(5-2)9(3)21-15/h7H,4-6H2,1-3H3,(H,17,19)
InChIKeyNFGZXLFTJJKPHE-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.68
Rot. Bonds5

About N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-propyl-1,2-oxazole-3-carboxamide

N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-propyl-1,2-oxazole-3-carboxamide (PubChem CID 5309667) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-propyl-1,2-oxazole-3-carboxamide
PubChem CID5309667
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2sc(C)c(CC)c2C#N)no1
InChIInChI=1S/C15H17N3O2S/c1-4-6-10-7-13(18-20-10)14(19)17-15-12(8-16)11(5-2)9(3)21-15/h7H,4-6H2,1-3H3,(H,17,19)
InChIKeyNFGZXLFTJJKPHE-UHFFFAOYSA-N
XLogP3.68
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.68
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-ethyl-5-methylthiophen-2-yl)-5-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-propyl-1,2-oxazole-3-carboxamide (CID 5309667) is N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-propyl-1,2-oxazole-3-carboxamide is CCCc1cc(C(=O)Nc2sc(C)c(CC)c2C#N)no1.
What is the InChIKey of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is NFGZXLFTJJKPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-4-6-10-7-13(18-20-10)14(19)17-15-12(8-16)11(5-2)9(3)21-15/h7H,4-6H2,1-3H3,(H,17,19).
What are the key properties of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-propyl-1,2-oxazole-3-carboxamide?
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5309667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).