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

C17H10N4O5S — CID 30332060

IUPAC5-nitro-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nc(-c2cccs2)no1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C17H10N4O5S/c22-16(12-7-8-14(25-12)21(23)24)18-11-5-2-1-4-10(11)17-19-15(20-26-17)13-6-3-9-27-13/h1-9H,(H,18,22)
InChIKeyQNZAFGHLWMGFKX-UHFFFAOYSA-N
MW382.36 g/mol
LogP4.22
Rot. Bonds5

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

5-nitro-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide (PubChem CID 30332060) has the molecular formula C17H10N4O5S and a molecular weight of 382.36 g/mol. Its IUPAC name is 5-nitro-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
PubChem CID30332060
Molecular FormulaC17H10N4O5S
Molecular Weight382.36 g/mol
Exact Mass382.04
IUPAC Name5-nitro-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nc(-c2cccs2)no1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C17H10N4O5S/c22-16(12-7-8-14(25-12)21(23)24)18-11-5-2-1-4-10(11)17-19-15(20-26-17)13-6-3-9-27-13/h1-9H,(H,18,22)
InChIKeyQNZAFGHLWMGFKX-UHFFFAOYSA-N
XLogP4.22
TPSA124.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 54.22
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-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]thiophene-2-carboxamide
CID 30332113
5-(2,5-dichlorophenyl)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 30334208
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 30333561
5-nitro-N-(2-phenylphenyl)furan-2-carboxamide
CID 23829547
(E)-3-(3-nitrophenyl)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]prop-2-enamide
CID 30332397
5-bromo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 16763198
2-naphthalen-2-yloxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 30331909
N-(2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 3269060
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide
CID 4900558
N-(2-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 17146683
4-methyl-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 30332736
N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]thiophene-2-carboxamide
CID 30332097

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-nitro-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide (CID 30332060) is 5-nitro-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide is O=C(Nc1ccccc1-c1nc(-c2cccs2)no1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide?
The InChIKey is QNZAFGHLWMGFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4O5S/c22-16(12-7-8-14(25-12)21(23)24)18-11-5-2-1-4-10(11)17-19-15(20-26-17)13-6-3-9-27-13/h1-9H,(H,18,22).
What are the key properties of 5-nitro-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide?
5-nitro-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide has a molecular weight of 382.36 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 30332060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).