2,5-dimethyl-5-[3-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-amine

C17H19N3O — CID 89142803

IUPAC2,5-dimethyl-5-[3-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-amine
SMILESCc1ccccc1-c1cccc(C2(C)N=C(N)N(C)O2)c1
InChIInChI=1S/C17H19N3O/c1-12-7-4-5-10-15(12)13-8-6-9-14(11-13)17(2)19-16(18)20(3)21-17/h4-11H,1-3H3,(H2,18,19)
InChIKeyLNAMVTUMEBKRKU-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.03
Rot. Bonds2

About 2,5-dimethyl-5-[3-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-amine

2,5-dimethyl-5-[3-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-amine (PubChem CID 89142803) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2,5-dimethyl-5-[3-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name2,5-dimethyl-5-[3-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-amine
PubChem CID89142803
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2,5-dimethyl-5-[3-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-amine
SMILESCc1ccccc1-c1cccc(C2(C)N=C(N)N(C)O2)c1
InChIInChI=1S/C17H19N3O/c1-12-7-4-5-10-15(12)13-8-6-9-14(11-13)17(2)19-16(18)20(3)21-17/h4-11H,1-3H3,(H2,18,19)
InChIKeyLNAMVTUMEBKRKU-UHFFFAOYSA-N
XLogP3.03
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-5-[3-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of 2,5-dimethyl-5-[3-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-amine (CID 89142803) is 2,5-dimethyl-5-[3-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 2,5-dimethyl-5-[3-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 2,5-dimethyl-5-[3-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-amine is Cc1ccccc1-c1cccc(C2(C)N=C(N)N(C)O2)c1.
What is the InChIKey of 2,5-dimethyl-5-[3-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is LNAMVTUMEBKRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-7-4-5-10-15(12)13-8-6-9-14(11-13)17(2)19-16(18)20(3)21-17/h4-11H,1-3H3,(H2,18,19).
What are the key properties of 2,5-dimethyl-5-[3-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-amine?
2,5-dimethyl-5-[3-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 281.36 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-5-[3-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 89142803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).