5-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide

C11H6BrN3O3S — CID 3611482

IUPAC5-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)c1ccc(Br)s1
InChIInChI=1S/C11H6BrN3O3S/c12-8-4-3-7(19-8)9(16)13-11-15-14-10(18-11)6-2-1-5-17-6/h1-5H,(H,13,15,16)
InChIKeyFDHPCXZRMXNLOP-UHFFFAOYSA-N
MW340.16 g/mol
LogP3.41
Rot. Bonds3

About 5-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide

5-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide (PubChem CID 3611482) has the molecular formula C11H6BrN3O3S and a molecular weight of 340.16 g/mol. Its IUPAC name is 5-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
PubChem CID3611482
Molecular FormulaC11H6BrN3O3S
Molecular Weight340.16 g/mol
Exact Mass338.93
IUPAC Name5-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)c1ccc(Br)s1
InChIInChI=1S/C11H6BrN3O3S/c12-8-4-3-7(19-8)9(16)13-11-15-14-10(18-11)6-2-1-5-17-6/h1-5H,(H,13,15,16)
InChIKeyFDHPCXZRMXNLOP-UHFFFAOYSA-N
XLogP3.41
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide (CID 3611482) is 5-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide is O=C(Nc1nnc(-c2ccco2)o1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is FDHPCXZRMXNLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrN3O3S/c12-8-4-3-7(19-8)9(16)13-11-15-14-10(18-11)6-2-1-5-17-6/h1-5H,(H,13,15,16).
What are the key properties of 5-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
5-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 340.16 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 3611482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).