N-cyclobutyl-5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine

C15H19N3O — CID 166241938

IUPACN-cyclobutyl-5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(c1ccccc1)c1nnc(NC2CCC2)o1
InChIInChI=1S/C15H19N3O/c1-15(2,11-7-4-3-5-8-11)13-17-18-14(19-13)16-12-9-6-10-12/h3-5,7-8,12H,6,9-10H2,1-2H3,(H,16,18)
InChIKeyOHZGFEWAKOWTLE-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.36
Rot. Bonds4

About N-cyclobutyl-5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine

N-cyclobutyl-5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 166241938) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-cyclobutyl-5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-cyclobutyl-5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID166241938
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-cyclobutyl-5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(c1ccccc1)c1nnc(NC2CCC2)o1
InChIInChI=1S/C15H19N3O/c1-15(2,11-7-4-3-5-8-11)13-17-18-14(19-13)16-12-9-6-10-12/h3-5,7-8,12H,6,9-10H2,1-2H3,(H,16,18)
InChIKeyOHZGFEWAKOWTLE-UHFFFAOYSA-N
XLogP3.36
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,4-Oxadiazol-2-amine, N-cyclohexyl-5-(1-(4-(2-methylpropyl)phenyl)ethyl)-
CID 3075533
N,5-dibenzyl-1,3,4-oxadiazol-2-amine
CID 16096935
5-(2-Phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 20113403
N-(5-benzyl-1,3,4-oxadiazol-2-yl)acetamide
CID 16917321
5-benzyl-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine
CID 136551614
N'-{5-[(R)-amino(phenyl)methyl]-1,3,4-oxadiazol-2-yl}-N-cyclopentyl-N-methyl-1,3-propanediamine dihydrochloride
CID 137343779
5-benzyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine
CID 135015414
N-cyclohexyl-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 11417225
N-butyl-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 11739284
1-Cyclohexyl-3-(5-(4-fluorobenzyl)-1,3,4-oxadiazol-2-yl)urea
CID 45549884
1-(5-(4-Fluorobenzyl)-1,3,4-oxadiazol-2-yl)-3-(pentan-3-yl)urea
CID 45549899
1-Cyclopentyl-3-(5-(4-fluorobenzyl)-1,3,4-oxadiazol-2-yl)urea
CID 45551539

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-cyclobutyl-5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine (CID 166241938) is N-cyclobutyl-5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-cyclobutyl-5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-cyclobutyl-5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine is CC(C)(c1ccccc1)c1nnc(NC2CCC2)o1.
What is the InChIKey of N-cyclobutyl-5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is OHZGFEWAKOWTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(2,11-7-4-3-5-8-11)13-17-18-14(19-13)16-12-9-6-10-12/h3-5,7-8,12H,6,9-10H2,1-2H3,(H,16,18).
What are the key properties of N-cyclobutyl-5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine?
N-cyclobutyl-5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 257.34 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 166241938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).