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N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

C15H19N3O3S — CID 17174214

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1sc(C)c(CC)c1C(N)=O
InChIInChI=1S/C15H19N3O3S/c1-5-9-8(4)22-15(12(9)13(16)19)17-14(20)11-7(3)21-18-10(11)6-2/h5-6H2,1-4H3,(H2,16,19)(H,17,20)
InChIKeyAGFZFBVBBKZKKS-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.83
Rot. Bonds5

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

N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 17174214) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID17174214
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1sc(C)c(CC)c1C(N)=O
InChIInChI=1S/C15H19N3O3S/c1-5-9-8(4)22-15(12(9)13(16)19)17-14(20)11-7(3)21-18-10(11)6-2/h5-6H2,1-4H3,(H2,16,19)(H,17,20)
InChIKeyAGFZFBVBBKZKKS-UHFFFAOYSA-N
XLogP2.83
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 17174214) is N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1sc(C)c(CC)c1C(N)=O.
What is the InChIKey of N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is AGFZFBVBBKZKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-5-9-8(4)22-15(12(9)13(16)19)17-14(20)11-7(3)21-18-10(11)6-2/h5-6H2,1-4H3,(H2,16,19)(H,17,20).
What are the key properties of N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 17174214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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