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

C11H6BrN3O3S — CID 42110858

IUPACN-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(Br)s2)o1)c1ccco1
InChIInChI=1S/C11H6BrN3O3S/c12-8-4-3-7(19-8)10-14-15-11(18-10)13-9(16)6-2-1-5-17-6/h1-5H,(H,13,15,16)
InChIKeyOBVJNVPCMBHAGU-UHFFFAOYSA-N
MW340.16 g/mol
LogP3.41
Rot. Bonds3

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

N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide (PubChem CID 42110858) has the molecular formula C11H6BrN3O3S and a molecular weight of 340.16 g/mol. Its IUPAC name is N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
PubChem CID42110858
Molecular FormulaC11H6BrN3O3S
Molecular Weight340.16 g/mol
Exact Mass338.93
IUPAC NameN-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(Br)s2)o1)c1ccco1
InChIInChI=1S/C11H6BrN3O3S/c12-8-4-3-7(19-8)10-14-15-11(18-10)13-9(16)6-2-1-5-17-6/h1-5H,(H,13,15,16)
InChIKeyOBVJNVPCMBHAGU-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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Related Compounds

N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide
CID 42110867
N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide
CID 42110849
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 43972032
N-(5-bromo-1,3-thiazol-2-yl)furan-2-carboxamide
CID 60655632
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-methylfuran-2-carboxamide
CID 90320525
N-(2,6-diamino-3-pyridinyl)furan-2-carboxamide
CID 110178922
N-[2-(5-bromothiophen-2-yl)ethyl]furan-2-carboxamide
CID 18154853
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 43975293
N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 40957083
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
5-(4-aminophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 53327040
3-(1,3-benzodioxol-5-yl)-N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 71961454

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide (CID 42110858) is N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide is O=C(Nc1nnc(-c2ccc(Br)s2)o1)c1ccco1.
What is the InChIKey of N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
The InChIKey is OBVJNVPCMBHAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrN3O3S/c12-8-4-3-7(19-8)10-14-15-11(18-10)13-9(16)6-2-1-5-17-6/h1-5H,(H,13,15,16).
What are the key properties of N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]furan-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 N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 42110858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).