N-(4-methylphenyl)-3-phenyl-1,2,4-oxadiazol-5-amine

C15H13N3O — CID 71686697

IUPACN-(4-methylphenyl)-3-phenyl-1,2,4-oxadiazol-5-amine
SMILESCc1ccc(Nc2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C15H13N3O/c1-11-7-9-13(10-8-11)16-15-17-14(18-19-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,16,17,18)
InChIKeyYFESGRSWAKBNLD-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.79
Rot. Bonds3

About N-(4-methylphenyl)-3-phenyl-1,2,4-oxadiazol-5-amine

N-(4-methylphenyl)-3-phenyl-1,2,4-oxadiazol-5-amine (PubChem CID 71686697) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-phenyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-phenyl-1,2,4-oxadiazol-5-amine
PubChem CID71686697
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC NameN-(4-methylphenyl)-3-phenyl-1,2,4-oxadiazol-5-amine
SMILESCc1ccc(Nc2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C15H13N3O/c1-11-7-9-13(10-8-11)16-15-17-14(18-19-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,16,17,18)
InChIKeyYFESGRSWAKBNLD-UHFFFAOYSA-N
XLogP3.79
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-phenyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(4-methylphenyl)-3-phenyl-1,2,4-oxadiazol-5-amine (CID 71686697) is N-(4-methylphenyl)-3-phenyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(4-methylphenyl)-3-phenyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(4-methylphenyl)-3-phenyl-1,2,4-oxadiazol-5-amine is Cc1ccc(Nc2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-phenyl-1,2,4-oxadiazol-5-amine?
The InChIKey is YFESGRSWAKBNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-11-7-9-13(10-8-11)16-15-17-14(18-19-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,16,17,18).
What are the key properties of N-(4-methylphenyl)-3-phenyl-1,2,4-oxadiazol-5-amine?
N-(4-methylphenyl)-3-phenyl-1,2,4-oxadiazol-5-amine has a molecular weight of 251.29 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-phenyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 71686697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).