3-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine

C16H23N3O — CID 61326508

IUPAC3-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
SMILESCCC(N)(CC)c1noc(C(C)(C)c2ccccc2)n1
InChIInChI=1S/C16H23N3O/c1-5-16(17,6-2)13-18-14(20-19-13)15(3,4)12-10-8-7-9-11-12/h7-11H,5-6,17H2,1-4H3
InChIKeySQZYFQRYSXNDDH-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.37
Rot. Bonds5

About 3-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine

3-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine (PubChem CID 61326508) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine.

Molecular Properties

Compound Name3-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
PubChem CID61326508
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
SMILESCCC(N)(CC)c1noc(C(C)(C)c2ccccc2)n1
InChIInChI=1S/C16H23N3O/c1-5-16(17,6-2)13-18-14(20-19-13)15(3,4)12-10-8-7-9-11-12/h7-11H,5-6,17H2,1-4H3
InChIKeySQZYFQRYSXNDDH-UHFFFAOYSA-N
XLogP3.37
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The IUPAC name of 3-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine (CID 61326508) is 3-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine.
What is the SMILES notation for 3-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The canonical SMILES for 3-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine is CCC(N)(CC)c1noc(C(C)(C)c2ccccc2)n1.
What is the InChIKey of 3-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The InChIKey is SQZYFQRYSXNDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-5-16(17,6-2)13-18-14(20-19-13)15(3,4)12-10-8-7-9-11-12/h7-11H,5-6,17H2,1-4H3.
What are the key properties of 3-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
3-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine has a molecular weight of 273.38 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine is sourced from PubChem (CID 61326508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).