2-(4-methoxy-3-nitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole

C15H10N4O6 — CID 17171729

IUPAC2-(4-methoxy-3-nitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H10N4O6/c1-24-13-6-5-10(8-12(13)19(22)23)15-17-16-14(25-15)9-3-2-4-11(7-9)18(20)21/h2-8H,1H3
InChIKeyHMJNZEZBOZEUBC-UHFFFAOYSA-N
MW342.27 g/mol
LogP3.23
Rot. Bonds5

About 2-(4-methoxy-3-nitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole

2-(4-methoxy-3-nitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole (PubChem CID 17171729) has the molecular formula C15H10N4O6 and a molecular weight of 342.27 g/mol. Its IUPAC name is 2-(4-methoxy-3-nitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methoxy-3-nitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
PubChem CID17171729
Molecular FormulaC15H10N4O6
Molecular Weight342.27 g/mol
Exact Mass342.06
IUPAC Name2-(4-methoxy-3-nitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H10N4O6/c1-24-13-6-5-10(8-12(13)19(22)23)15-17-16-14(25-15)9-3-2-4-11(7-9)18(20)21/h2-8H,1H3
InChIKeyHMJNZEZBOZEUBC-UHFFFAOYSA-N
XLogP3.23
TPSA134.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 53.23
H-Bond Donors ≤ 50
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 2-(4-methoxy-3-nitrophenyl)-5-(3-nitrophenyl)-1,3,4-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

2-(4-methoxy-3-nitrophenyl)-5-phenyl-1,3,4-oxadiazole
CID 17359287
2-(4-methylphenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 785031
2-(3,5-dinitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 21205474
1-[5-(4-methoxy-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 55035005
2-(3-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 2806323
N-[[5-(4-methoxy-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 62139036
3-[5-(4-methoxy-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62072142
2-(2-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 781502
N-[(4-methoxyphenyl)methyl]-5-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine
CID 142725456
4-[4-methoxy-3-(3-nitrophenyl)phenyl]pyridine
CID 15453442
3-(4-methoxyphenyl)-5-(3-nitrophenyl)-1,2,4-oxadiazole
CID 883697
2-methoxy-4-nitro-1-(3-nitrophenyl)benzene
CID 91596770

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-nitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methoxy-3-nitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole (CID 17171729) is 2-(4-methoxy-3-nitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methoxy-3-nitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methoxy-3-nitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-methoxy-3-nitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole?
The InChIKey is HMJNZEZBOZEUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O6/c1-24-13-6-5-10(8-12(13)19(22)23)15-17-16-14(25-15)9-3-2-4-11(7-9)18(20)21/h2-8H,1H3.
What are the key properties of 2-(4-methoxy-3-nitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole?
2-(4-methoxy-3-nitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole has a molecular weight of 342.27 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-nitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 17171729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).