5-(2-aminophenyl)-N-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine

C16H16N4O — CID 2732231

IUPAC5-(2-aminophenyl)-N-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(Nc2nnc(-c3ccccc3N)o2)cc1C
InChIInChI=1S/C16H16N4O/c1-10-7-8-12(9-11(10)2)18-16-20-19-15(21-16)13-5-3-4-6-14(13)17/h3-9H,17H2,1-2H3,(H,18,20)
InChIKeyVBWKIBVDKWTPIJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.68
Rot. Bonds3

About 5-(2-aminophenyl)-N-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine

5-(2-aminophenyl)-N-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 2732231) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-(2-aminophenyl)-N-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminophenyl)-N-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID2732231
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name5-(2-aminophenyl)-N-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(Nc2nnc(-c3ccccc3N)o2)cc1C
InChIInChI=1S/C16H16N4O/c1-10-7-8-12(9-11(10)2)18-16-20-19-15(21-16)13-5-3-4-6-14(13)17/h3-9H,17H2,1-2H3,(H,18,20)
InChIKeyVBWKIBVDKWTPIJ-UHFFFAOYSA-N
XLogP3.68
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,5-diphenyl-1,3,4-oxadiazol-2-amine
CID 12616884
5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 1547963
N-(5-(3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)phenyl)-1,3,4-oxadiazol-2-yl)ethane-1,2-diamine
CID 25023709
5-naphthalen-1-yl-N-phenyl-1,3,4-oxadiazol-2-amine
CID 2815521
5-(4-(Trifluoromethyl)phenyl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 49857867
4-(5-(Phenylamino)-1,3,4-oxadiazol-2-yl)benzonitrile
CID 49858060
5-[2-[[3-(Trifluoromethyl)phenyl]amino]phenyl]-1,3,4-oxadiazol-2-amine
CID 14951345
5-[2-[[3-(Trifluoromethyl)phenyl]amino]phenyl]-1,3,4-oxadiazol-2-yl-cyanamide
CID 14951370
2-fluoro-N-[3-methyl-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 24782553
N-[3-ethyl-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide
CID 24782803
2-methyl-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 57663418
N-hydroxy-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]benzamide
CID 142452080

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminophenyl)-N-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminophenyl)-N-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine (CID 2732231) is 5-(2-aminophenyl)-N-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminophenyl)-N-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminophenyl)-N-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine is Cc1ccc(Nc2nnc(-c3ccccc3N)o2)cc1C.
What is the InChIKey of 5-(2-aminophenyl)-N-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is VBWKIBVDKWTPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10-7-8-12(9-11(10)2)18-16-20-19-15(21-16)13-5-3-4-6-14(13)17/h3-9H,17H2,1-2H3,(H,18,20).
What are the key properties of 5-(2-aminophenyl)-N-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine?
5-(2-aminophenyl)-N-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 280.33 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminophenyl)-N-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 2732231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).