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

C17H13N5O6 — CID 90603851

IUPAC5-nitro-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nnc(C2CC(=O)N(c3ccccc3)C2)o1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C17H13N5O6/c23-13-8-10(9-21(13)11-4-2-1-3-5-11)16-19-20-17(28-16)18-15(24)12-6-7-14(27-12)22(25)26/h1-7,10H,8-9H2,(H,18,20,24)
InChIKeyWUVPOEPGYVFFHO-UHFFFAOYSA-N
MW383.32 g/mol
LogP2.34
Rot. Bonds5

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

5-nitro-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide (PubChem CID 90603851) has the molecular formula C17H13N5O6 and a molecular weight of 383.32 g/mol. Its IUPAC name is 5-nitro-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
PubChem CID90603851
Molecular FormulaC17H13N5O6
Molecular Weight383.32 g/mol
Exact Mass383.09
IUPAC Name5-nitro-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nnc(C2CC(=O)N(c3ccccc3)C2)o1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C17H13N5O6/c23-13-8-10(9-21(13)11-4-2-1-3-5-11)16-19-20-17(28-16)18-15(24)12-6-7-14(27-12)22(25)26/h1-7,10H,8-9H2,(H,18,20,24)
InChIKeyWUVPOEPGYVFFHO-UHFFFAOYSA-N
XLogP2.34
TPSA144.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 52.34
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'}

Analyze 5-nitro-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide
CID 90603815
N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 52993082
2-methyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]propanamide
CID 50837316
3,4-dimethyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90603790
4-methylsulfanyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90603897
N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 46393291
4-methoxy-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 46393260
5-bromo-N-[5-[(3S)-1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 92898323
3,4,5-trimethoxy-N-[5-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 92884603
N-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide
CID 94921220
2-(3-methoxyphenyl)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 50837352
2-(4-methoxy-3-methylphenyl)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 52993084

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of 5-nitro-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide (CID 90603851) is 5-nitro-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide is O=C(Nc1nnc(C2CC(=O)N(c3ccccc3)C2)o1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
The InChIKey is WUVPOEPGYVFFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O6/c23-13-8-10(9-21(13)11-4-2-1-3-5-11)16-19-20-17(28-16)18-15(24)12-6-7-14(27-12)22(25)26/h1-7,10H,8-9H2,(H,18,20,24).
What are the key properties of 5-nitro-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
5-nitro-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide has a molecular weight of 383.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 90603851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).