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

C20H15N3O — CID 2306153

IUPAC2-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]aniline
SMILESNc1ccccc1-c1nnc(-c2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C20H15N3O/c21-18-9-5-4-8-17(18)20-23-22-19(24-20)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,21H2
InChIKeyUNRCKELZEFURKT-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.65
Rot. Bonds3

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

2-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]aniline (PubChem CID 2306153) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]aniline.

Molecular Properties

Compound Name2-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]aniline
PubChem CID2306153
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name2-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]aniline
SMILESNc1ccccc1-c1nnc(-c2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C20H15N3O/c21-18-9-5-4-8-17(18)20-23-22-19(24-20)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,21H2
InChIKeyUNRCKELZEFURKT-UHFFFAOYSA-N
XLogP4.65
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Biphenyl-4-yl-5-phenyl-1,3,4-oxadiazole
CID 70065
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
4-[5-(4-Phenylphenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 628602
2,5-Bis(2-aminophenyl)-1,3,4-oxadiazole
CID 29650
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
N-{2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}-3-(trifluoromethyl)benzamide
CID 5297758
N-[2-[5-[(4-tert-butylphenyl)methylthio]-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 3137384
4-Fluoro-3-[5-(4-methylbenzyl)-1,3,4-oxadiazol-2-yl]aniline
CID 47001465

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]aniline?
The IUPAC name of 2-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]aniline (CID 2306153) is 2-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]aniline.
What is the SMILES notation for 2-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]aniline?
The canonical SMILES for 2-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]aniline is Nc1ccccc1-c1nnc(-c2ccc(-c3ccccc3)cc2)o1.
What is the InChIKey of 2-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]aniline?
The InChIKey is UNRCKELZEFURKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c21-18-9-5-4-8-17(18)20-23-22-19(24-20)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,21H2.
What are the key properties of 2-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]aniline?
2-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]aniline has a molecular weight of 313.36 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]aniline is sourced from PubChem (CID 2306153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).