5-[3-(2-methylpent-4-en-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide

C13H15N3O2S — CID 146123416

IUPAC5-[3-(2-methylpent-4-en-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide
SMILESC=CCC(C)(C)c1noc(-c2ccc(C(N)=O)s2)n1
InChIInChI=1S/C13H15N3O2S/c1-4-7-13(2,3)12-15-11(18-16-12)9-6-5-8(19-9)10(14)17/h4-6H,1,7H2,2-3H3,(H2,14,17)
InChIKeySQOOSGBJNOWJJQ-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.75
Rot. Bonds5

About 5-[3-(2-methylpent-4-en-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide

5-[3-(2-methylpent-4-en-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide (PubChem CID 146123416) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 5-[3-(2-methylpent-4-en-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[3-(2-methylpent-4-en-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide
PubChem CID146123416
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name5-[3-(2-methylpent-4-en-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide
SMILESC=CCC(C)(C)c1noc(-c2ccc(C(N)=O)s2)n1
InChIInChI=1S/C13H15N3O2S/c1-4-7-13(2,3)12-15-11(18-16-12)9-6-5-8(19-9)10(14)17/h4-6H,1,7H2,2-3H3,(H2,14,17)
InChIKeySQOOSGBJNOWJJQ-UHFFFAOYSA-N
XLogP2.75
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methylpent-4-en-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of 5-[3-(2-methylpent-4-en-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide (CID 146123416) is 5-[3-(2-methylpent-4-en-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[3-(2-methylpent-4-en-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-[3-(2-methylpent-4-en-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide is C=CCC(C)(C)c1noc(-c2ccc(C(N)=O)s2)n1.
What is the InChIKey of 5-[3-(2-methylpent-4-en-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide?
The InChIKey is SQOOSGBJNOWJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-4-7-13(2,3)12-15-11(18-16-12)9-6-5-8(19-9)10(14)17/h4-6H,1,7H2,2-3H3,(H2,14,17).
What are the key properties of 5-[3-(2-methylpent-4-en-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide?
5-[3-(2-methylpent-4-en-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methylpent-4-en-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 146123416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).