5-(4-imidazol-1-ylphenyl)-N-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine

C17H12N6O3 — CID 110456352

IUPAC5-(4-imidazol-1-ylphenyl)-N-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine
SMILESO=[N+]([O-])c1cccc(Nc2nnc(-c3ccc(-n4ccnc4)cc3)o2)c1
InChIInChI=1S/C17H12N6O3/c24-23(25)15-3-1-2-13(10-15)19-17-21-20-16(26-17)12-4-6-14(7-5-12)22-9-8-18-11-22/h1-11H,(H,19,21)
InChIKeyOCWPPUZDJLNLDT-UHFFFAOYSA-N
MW348.32 g/mol
LogP3.57
Rot. Bonds5

About 5-(4-imidazol-1-ylphenyl)-N-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine

5-(4-imidazol-1-ylphenyl)-N-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 110456352) has the molecular formula C17H12N6O3 and a molecular weight of 348.32 g/mol. Its IUPAC name is 5-(4-imidazol-1-ylphenyl)-N-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(4-imidazol-1-ylphenyl)-N-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine
PubChem CID110456352
Molecular FormulaC17H12N6O3
Molecular Weight348.32 g/mol
Exact Mass348.10
IUPAC Name5-(4-imidazol-1-ylphenyl)-N-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine
SMILESO=[N+]([O-])c1cccc(Nc2nnc(-c3ccc(-n4ccnc4)cc3)o2)c1
InChIInChI=1S/C17H12N6O3/c24-23(25)15-3-1-2-13(10-15)19-17-21-20-16(26-17)12-4-6-14(7-5-12)22-9-8-18-11-22/h1-11H,(H,19,21)
InChIKeyOCWPPUZDJLNLDT-UHFFFAOYSA-N
XLogP3.57
TPSA111.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 53.57
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

5-[4-(5-anilino-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-1,3,4-oxadiazol-2-amine
CID 11463599
3-imidazol-1-yl-N-methyl-5-nitroaniline
CID 80853139
2-(4-methylphenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 785031
(E)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 99952159
3-(3-nitrophenyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enamide
CID 4569571
N,5-diphenyl-1,3,4-oxadiazol-2-amine
CID 12616884
2-(3,5-dinitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 21205474
2-[[4-(3-nitrophenyl)phenyl]methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 71212308
3-imidazol-1-yl-6-(3-nitrophenoxy)pyridazine
CID 19095563
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 3-nitrobenzoate
CID 7866102
N-(4-imidazol-1-ylphenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 37193877
4-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]benzene-1,2-diamine
CID 66966375

Frequently Asked Questions

What is the IUPAC name of 5-(4-imidazol-1-ylphenyl)-N-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(4-imidazol-1-ylphenyl)-N-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine (CID 110456352) is 5-(4-imidazol-1-ylphenyl)-N-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(4-imidazol-1-ylphenyl)-N-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(4-imidazol-1-ylphenyl)-N-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine is O=[N+]([O-])c1cccc(Nc2nnc(-c3ccc(-n4ccnc4)cc3)o2)c1.
What is the InChIKey of 5-(4-imidazol-1-ylphenyl)-N-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is OCWPPUZDJLNLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O3/c24-23(25)15-3-1-2-13(10-15)19-17-21-20-16(26-17)12-4-6-14(7-5-12)22-9-8-18-11-22/h1-11H,(H,19,21).
What are the key properties of 5-(4-imidazol-1-ylphenyl)-N-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine?
5-(4-imidazol-1-ylphenyl)-N-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 348.32 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-imidazol-1-ylphenyl)-N-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 110456352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).