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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Related Compounds

2-methyl-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115428092
3-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 104632808
3-phenyl-5-(2-phenylpropan-2-yl)-1,2,4-oxadiazole
CID 154838471
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanamine
CID 62488541
2-methyl-2-[3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115428096
3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-3-amine
CID 79804455
4-[2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-yl]aniline
CID 116740534
3-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61324868
2-amino-2-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633252
3-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326504
2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-phenylbutan-2-amine
CID 79008177
5-(2-chloroethyl)-3-(2-phenylpropan-2-yl)-1,2,4-oxadiazole
CID 63084325

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).