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

C11H6N4O5S — CID 5083854

IUPACN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C11H6N4O5S/c16-9(7-3-4-8(21-7)15(17)18)12-11-14-13-10(20-11)6-2-1-5-19-6/h1-5H,(H,12,14,16)
InChIKeyLBUKJOBZESCKJM-UHFFFAOYSA-N
MW306.26 g/mol
LogP2.55
Rot. Bonds4

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

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide (PubChem CID 5083854) has the molecular formula C11H6N4O5S and a molecular weight of 306.26 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide
PubChem CID5083854
Molecular FormulaC11H6N4O5S
Molecular Weight306.26 g/mol
Exact Mass306.01
IUPAC NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C11H6N4O5S/c16-9(7-3-4-8(21-7)15(17)18)12-11-14-13-10(20-11)6-2-1-5-19-6/h1-5H,(H,12,14,16)
InChIKeyLBUKJOBZESCKJM-UHFFFAOYSA-N
XLogP2.55
TPSA124.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 4363012
N-[5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 2104440
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylthiophene-2-carboxamide
CID 2534314
5-bromo-N-[5-(2-furyl)-1,3,4-oxadiazol-2-yl]-2-thiophenecarboxamide
CID 3611482
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
CID 43972849
5-nitro-N-[5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 2104446
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide
CID 4050556
N-(5-(benzofuran-2-yl)-1,3,4-oxadiazol-2-yl)-5-nitrothiophene-2-carboxamide
CID 16801956
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
CID 2104545
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
CID 3611292
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 5083842
(E)-N-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)-3-(thiophen-2-yl)acrylamide
CID 6049205

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide (CID 5083854) is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide is O=C(Nc1nnc(-c2ccco2)o1)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide?
The InChIKey is LBUKJOBZESCKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N4O5S/c16-9(7-3-4-8(21-7)15(17)18)12-11-14-13-10(20-11)6-2-1-5-19-6/h1-5H,(H,12,14,16).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide?
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide has a molecular weight of 306.26 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide is sourced from PubChem (CID 5083854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).