2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine

C16H15N3O — CID 3474783

IUPAC2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESNC(Cc1ccccc1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C16H15N3O/c17-14(11-12-7-3-1-4-8-12)16-18-15(19-20-16)13-9-5-2-6-10-13/h1-10,14H,11,17H2
InChIKeyGVHZOOKPKNWNPE-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.98
Rot. Bonds4

About 2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine

2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 3474783) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID3474783
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESNC(Cc1ccccc1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C16H15N3O/c17-14(11-12-7-3-1-4-8-12)16-18-15(19-20-16)13-9-5-2-6-10-13/h1-10,14H,11,17H2
InChIKeyGVHZOOKPKNWNPE-UHFFFAOYSA-N
XLogP2.98
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of 2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine (CID 3474783) is 2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for 2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine is NC(Cc1ccccc1)c1nc(-c2ccccc2)no1.
What is the InChIKey of 2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is GVHZOOKPKNWNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-14(11-12-7-3-1-4-8-12)16-18-15(19-20-16)13-9-5-2-6-10-13/h1-10,14H,11,17H2.
What are the key properties of 2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine?
2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 265.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 3474783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).