N-[3-(1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide

C13H9N3O2S — CID 2739422

IUPACN-[3-(1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(-c2ncon2)c1)c1cccs1
InChIInChI=1S/C13H9N3O2S/c17-13(11-5-2-6-19-11)15-10-4-1-3-9(7-10)12-14-8-18-16-12/h1-8H,(H,15,17)
InChIKeySTBMJBUYZDTHDT-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.05
Rot. Bonds3

About N-[3-(1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide

N-[3-(1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide (PubChem CID 2739422) has the molecular formula C13H9N3O2S and a molecular weight of 271.30 g/mol. Its IUPAC name is N-[3-(1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide
PubChem CID2739422
Molecular FormulaC13H9N3O2S
Molecular Weight271.30 g/mol
Exact Mass271.04
IUPAC NameN-[3-(1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(-c2ncon2)c1)c1cccs1
InChIInChI=1S/C13H9N3O2S/c17-13(11-5-2-6-19-11)15-10-4-1-3-9(7-10)12-14-8-18-16-12/h1-8H,(H,15,17)
InChIKeySTBMJBUYZDTHDT-UHFFFAOYSA-N
XLogP3.05
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide (CID 2739422) is N-[3-(1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide is O=C(Nc1cccc(-c2ncon2)c1)c1cccs1.
What is the InChIKey of N-[3-(1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is STBMJBUYZDTHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2S/c17-13(11-5-2-6-19-11)15-10-4-1-3-9(7-10)12-14-8-18-16-12/h1-8H,(H,15,17).
What are the key properties of N-[3-(1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide?
N-[3-(1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 271.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2739422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).