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

C15H11N3O4 — CID 2799963

IUPAC2-(3-methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole
SMILESCOc1cccc(-c2nnc(-c3ccccc3[N+](=O)[O-])o2)c1
InChIInChI=1S/C15H11N3O4/c1-21-11-6-4-5-10(9-11)14-16-17-15(22-14)12-7-2-3-8-13(12)18(19)20/h2-9H,1H3
InChIKeyWOAJNSQSBDMZEM-UHFFFAOYSA-N
MW297.27 g/mol
LogP3.32
Rot. Bonds4

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

2-(3-methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole (PubChem CID 2799963) has the molecular formula C15H11N3O4 and a molecular weight of 297.27 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole
PubChem CID2799963
Molecular FormulaC15H11N3O4
Molecular Weight297.27 g/mol
Exact Mass297.07
IUPAC Name2-(3-methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole
SMILESCOc1cccc(-c2nnc(-c3ccccc3[N+](=O)[O-])o2)c1
InChIInChI=1S/C15H11N3O4/c1-21-11-6-4-5-10(9-11)14-16-17-15(22-14)12-7-2-3-8-13(12)18(19)20/h2-9H,1H3
InChIKeyWOAJNSQSBDMZEM-UHFFFAOYSA-N
XLogP3.32
TPSA91.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(3-methoxyphenyl)-5-(2-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-(2-Nitrophenyl)-5-phenyl-1,3,4-oxadiazole
CID 5150389
1-Nitro-4-[(5-phenyl(1,3,4-oxadiazol-2-yl))methoxy]benzene
CID 2366862
3-methoxy-N~1~-{2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl}benzamide
CID 5297584
2-[(3,5-Dinitrophenyl)methylsulfanyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 127047041
2-[(3-Methoxyphenyl)methylsulfanyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 71212418
2-(3-Nitrophenyl)-5-[2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3,4-oxadiazole
CID 2741985
2-(2,3-Difluoro-6-nitrophenyl)-5-(2-fluoro-4-methoxyphenyl)-1,3,4-oxadiazole
CID 45277101
2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-(2-nitrophenyl)-1,3,4-oxadiazole
CID 56675261
2-(2-Bromo-5-methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole
CID 2799957
2-[5-(2-Bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzenamine
CID 18525665
2-(4-Methoxyphenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 781498
2-(5-(3-Methoxyphenyl)-1,3,4-oxadiazol-2-yl)aniline
CID 2799993

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole (CID 2799963) is 2-(3-methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole is COc1cccc(-c2nnc(-c3ccccc3[N+](=O)[O-])o2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole?
The InChIKey is WOAJNSQSBDMZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4/c1-21-11-6-4-5-10(9-11)14-16-17-15(22-14)12-7-2-3-8-13(12)18(19)20/h2-9H,1H3.
What are the key properties of 2-(3-methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole?
2-(3-methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole has a molecular weight of 297.27 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 2799963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).