5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-amine

C16H15N3O — CID 3061059

IUPAC5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(C(Cc2ccccc2)c2ccccc2)o1
InChIInChI=1S/C16H15N3O/c17-16-19-18-15(20-16)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H2,17,19)
InChIKeyXDGUDFGGYHWZAH-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.03
Rot. Bonds4

About 5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-amine

5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 3061059) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-amine
PubChem CID3061059
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(C(Cc2ccccc2)c2ccccc2)o1
InChIInChI=1S/C16H15N3O/c17-16-19-18-15(20-16)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H2,17,19)
InChIKeyXDGUDFGGYHWZAH-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-amine (CID 3061059) is 5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-amine is Nc1nnc(C(Cc2ccccc2)c2ccccc2)o1.
What is the InChIKey of 5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is XDGUDFGGYHWZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-16-19-18-15(20-16)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H2,17,19).
What are the key properties of 5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-amine?
5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 265.32 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 3061059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).