5-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-propylthiophene-2-carboxamide

C15H21N3O2S — CID 132986647

IUPAC5-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)NC(C)(C)c2noc(C)n2)sc1C
InChIInChI=1S/C15H21N3O2S/c1-6-7-11-8-12(21-9(11)2)13(19)17-15(4,5)14-16-10(3)20-18-14/h8H,6-7H2,1-5H3,(H,17,19)
InChIKeySKASOGOEWKHQMU-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.37
Rot. Bonds5

About 5-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-propylthiophene-2-carboxamide

5-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-propylthiophene-2-carboxamide (PubChem CID 132986647) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 5-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-propylthiophene-2-carboxamide
PubChem CID132986647
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name5-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)NC(C)(C)c2noc(C)n2)sc1C
InChIInChI=1S/C15H21N3O2S/c1-6-7-11-8-12(21-9(11)2)13(19)17-15(4,5)14-16-10(3)20-18-14/h8H,6-7H2,1-5H3,(H,17,19)
InChIKeySKASOGOEWKHQMU-UHFFFAOYSA-N
XLogP3.37
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-propylthiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-propylthiophene-2-carboxamide (CID 132986647) is 5-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-propylthiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-propylthiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-propylthiophene-2-carboxamide is CCCc1cc(C(=O)NC(C)(C)c2noc(C)n2)sc1C.
What is the InChIKey of 5-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-propylthiophene-2-carboxamide?
The InChIKey is SKASOGOEWKHQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-6-7-11-8-12(21-9(11)2)13(19)17-15(4,5)14-16-10(3)20-18-14/h8H,6-7H2,1-5H3,(H,17,19).
What are the key properties of 5-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-propylthiophene-2-carboxamide?
5-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-propylthiophene-2-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 3.37, 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-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-propylthiophene-2-carboxamide is sourced from PubChem (CID 132986647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).