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

C14H12N4O — CID 29650

IUPAC2-[5-(2-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline
SMILESNc1ccccc1-c1nnc(-c2ccccc2N)o1
InChIInChI=1S/C14H12N4O/c15-11-7-3-1-5-9(11)13-17-18-14(19-13)10-6-2-4-8-12(10)16/h1-8H,15-16H2
InChIKeyWEQLMOBWMDHBIA-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.57
Rot. Bonds2

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

2-[5-(2-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline (PubChem CID 29650) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-[5-(2-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline.

Molecular Properties

Compound Name2-[5-(2-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline
PubChem CID29650
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name2-[5-(2-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline
SMILESNc1ccccc1-c1nnc(-c2ccccc2N)o1
InChIInChI=1S/C14H12N4O/c15-11-7-3-1-5-9(11)13-17-18-14(19-13)10-6-2-4-8-12(10)16/h1-8H,15-16H2
InChIKeyWEQLMOBWMDHBIA-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 2-[5-(2-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
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
4-(5-Phenyl-1,3,4-oxadiazol-2-yl)aniline
CID 818368
2-(2-Nitrophenyl)-5-phenyl-1,3,4-oxadiazole
CID 5150389
5-(2-Nitrophenyl)-1,3,4-oxadiazol-2-amine
CID 712042
4-[5-(3-Methylphenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 974925
5-[2-[[3-(Trifluoromethyl)phenyl]amino]phenyl]-1,3,4-oxadiazol-2-amine
CID 14951345
2-[5-(4-Phenylphenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 2306153
N-(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl) benzamide
CID 71458829
2-[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 4204120
2-(5-Methyl-1,3,4-oxadiazol-2-yl)aniline
CID 13409712

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline?
The IUPAC name of 2-[5-(2-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline (CID 29650) is 2-[5-(2-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline.
What is the SMILES notation for 2-[5-(2-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline?
The canonical SMILES for 2-[5-(2-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline is Nc1ccccc1-c1nnc(-c2ccccc2N)o1.
What is the InChIKey of 2-[5-(2-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline?
The InChIKey is WEQLMOBWMDHBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-11-7-3-1-5-9(11)13-17-18-14(19-13)10-6-2-4-8-12(10)16/h1-8H,15-16H2.
What are the key properties of 2-[5-(2-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline?
2-[5-(2-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 2-[5-(2-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline is sourced from PubChem (CID 29650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).