3-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline

C14H12N4O — CID 745991

IUPAC3-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline
SMILESNc1cccc(-c2nnc(-c3cccc(N)c3)o2)c1
InChIInChI=1S/C14H12N4O/c15-11-5-1-3-9(7-11)13-17-18-14(19-13)10-4-2-6-12(16)8-10/h1-8H,15-16H2
InChIKeyHJLLHYNMAUWCNS-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.57
Rot. Bonds2

About 3-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline

3-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline (PubChem CID 745991) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline.

Molecular Properties

Compound Name3-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline
PubChem CID745991
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name3-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline
SMILESNc1cccc(-c2nnc(-c3cccc(N)c3)o2)c1
InChIInChI=1S/C14H12N4O/c15-11-5-1-3-9(7-11)13-17-18-14(19-13)10-4-2-6-12(16)8-10/h1-8H,15-16H2
InChIKeyHJLLHYNMAUWCNS-UHFFFAOYSA-N
XLogP2.57
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline 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

1,3,4-Oxadiazole, 2-5-diphenyl-
CID 12888
2-(3-Nitro-phenyl)-5-phenyl-(1,3,4)oxadiazole
CID 577329
4,4'-(1,3,4-Oxadiazole-2,5-diyl)dianiline
CID 75505
2-[5-(4-Tert-butylphenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 2799937
2-Benzyl-5-phenyl-1,3,4-oxadiazole
CID 800230
4-(5-Phenyl-1,3,4-oxadiazol-2-yl)aniline
CID 818368
5-(3-Nitrophenyl)-1,3,4-oxadiazol-2-amine
CID 676499
5-tert-Butyl-2-(3-(nitrophenyl)-1,3,4-oxadiazole
CID 730641
2,5-Bis(3-nitrophenyl)-1,3,4-oxadiazole
CID 1715369
2-(2-Fluorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 781492
4-Oxo-4-{[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]amino}butanoic acid
CID 888626
N-{3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}acetamide
CID 1231059

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline?
The IUPAC name of 3-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline (CID 745991) is 3-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline.
What is the SMILES notation for 3-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline?
The canonical SMILES for 3-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline is Nc1cccc(-c2nnc(-c3cccc(N)c3)o2)c1.
What is the InChIKey of 3-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline?
The InChIKey is HJLLHYNMAUWCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-11-5-1-3-9(7-11)13-17-18-14(19-13)10-4-2-6-12(16)8-10/h1-8H,15-16H2.
What are the key properties of 3-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline?
3-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline has a molecular weight of 252.28 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline is sourced from PubChem (CID 745991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).