5-(5-nitrofuran-2-yl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole

C15H12N6O4 — CID 53095311

IUPAC5-(5-nitrofuran-2-yl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole
SMILESCCCn1nnc2cc(-c3noc(-c4ccc([N+](=O)[O-])o4)n3)ccc21
InChIInChI=1S/C15H12N6O4/c1-2-7-20-11-4-3-9(8-10(11)17-19-20)14-16-15(25-18-14)12-5-6-13(24-12)21(22)23/h3-6,8H,2,7H2,1H3
InChIKeyNWAHVKCKZLLFNU-UHFFFAOYSA-N
MW340.30 g/mol
LogP3.06
Rot. Bonds5

About 5-(5-nitrofuran-2-yl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole

5-(5-nitrofuran-2-yl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole (PubChem CID 53095311) has the molecular formula C15H12N6O4 and a molecular weight of 340.30 g/mol. Its IUPAC name is 5-(5-nitrofuran-2-yl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-nitrofuran-2-yl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole
PubChem CID53095311
Molecular FormulaC15H12N6O4
Molecular Weight340.30 g/mol
Exact Mass340.09
IUPAC Name5-(5-nitrofuran-2-yl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole
SMILESCCCn1nnc2cc(-c3noc(-c4ccc([N+](=O)[O-])o4)n3)ccc21
InChIInChI=1S/C15H12N6O4/c1-2-7-20-11-4-3-9(8-10(11)17-19-20)14-16-15(25-18-14)12-5-6-13(24-12)21(22)23/h3-6,8H,2,7H2,1H3
InChIKeyNWAHVKCKZLLFNU-UHFFFAOYSA-N
XLogP3.06
TPSA125.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-(5-nitrofuran-2-yl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole 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

3-(1-propylbenzotriazol-5-yl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 53095322
5-(2-bromophenyl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole
CID 53095306
2-[5-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzotriazol-1-yl]-N,N-dimethylethanamine
CID 53179931
3-[5-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]benzotriazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53121404
N-[4-[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 53095225
3-[5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]benzotriazol-1-yl]-1-morpholin-4-ylpropan-1-one
CID 53121516
1-pyrrolidin-1-yl-3-[5-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzotriazol-1-yl]propan-1-one
CID 53121445
3-(1-chloroethyl)-5-(5-nitrofuran-2-yl)-1,2,4-oxadiazole
CID 102661051
N-[[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 53095230
2-[5-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]benzotriazol-1-yl]-N,N-dimethylethanamine
CID 53179946
5-(5-nitrofuran-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62944634
5-(5-bromofuran-2-yl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030861

Frequently Asked Questions

What is the IUPAC name of 5-(5-nitrofuran-2-yl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(5-nitrofuran-2-yl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole (CID 53095311) is 5-(5-nitrofuran-2-yl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-nitrofuran-2-yl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-nitrofuran-2-yl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole is CCCn1nnc2cc(-c3noc(-c4ccc([N+](=O)[O-])o4)n3)ccc21.
What is the InChIKey of 5-(5-nitrofuran-2-yl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is NWAHVKCKZLLFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O4/c1-2-7-20-11-4-3-9(8-10(11)17-19-20)14-16-15(25-18-14)12-5-6-13(24-12)21(22)23/h3-6,8H,2,7H2,1H3.
What are the key properties of 5-(5-nitrofuran-2-yl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole?
5-(5-nitrofuran-2-yl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 340.30 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-nitrofuran-2-yl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53095311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).