5-nitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)furan-2-carboxamide

C11H6N4O5S — CID 2104446

IUPAC5-nitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nnc(-c2cccs2)o1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H6N4O5S/c16-9(6-3-4-8(19-6)15(17)18)12-11-14-13-10(20-11)7-2-1-5-21-7/h1-5H,(H,12,14,16)
InChIKeyJVSQWTAHRXUMGE-UHFFFAOYSA-N
MW306.26 g/mol
LogP2.55
Rot. Bonds4

About 5-nitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)furan-2-carboxamide

5-nitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)furan-2-carboxamide (PubChem CID 2104446) has the molecular formula C11H6N4O5S and a molecular weight of 306.26 g/mol. Its IUPAC name is 5-nitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)furan-2-carboxamide
PubChem CID2104446
Molecular FormulaC11H6N4O5S
Molecular Weight306.26 g/mol
Exact Mass306.01
IUPAC Name5-nitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nnc(-c2cccs2)o1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H6N4O5S/c16-9(6-3-4-8(19-6)15(17)18)12-11-14-13-10(20-11)7-2-1-5-21-7/h1-5H,(H,12,14,16)
InChIKeyJVSQWTAHRXUMGE-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

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]-5-nitrothiophene-2-carboxamide
CID 5083854
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
CID 43972849
N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)furan-2-carboxamide
CID 155235656
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-methyl-1,3,4-thiadiazol-2-yl)-5-nitrofuran-2-carboxamide
CID 1416221
5-nitro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 175053657
(E)-N-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)-3-(5-nitrothiophen-2-yl)acrylamide
CID 5097777
(E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide
CID 6269634
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-nitrofuran-2-carboxamide
CID 8441469
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-nitrofuran-2-carboxamide
CID 17146135

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-nitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)furan-2-carboxamide (CID 2104446) is 5-nitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)furan-2-carboxamide is O=C(Nc1nnc(-c2cccs2)o1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)furan-2-carboxamide?
The InChIKey is JVSQWTAHRXUMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N4O5S/c16-9(6-3-4-8(19-6)15(17)18)12-11-14-13-10(20-11)7-2-1-5-21-7/h1-5H,(H,12,14,16).
What are the key properties of 5-nitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)furan-2-carboxamide?
5-nitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)furan-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 5-nitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 2104446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).