1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine

C14H19N3O — CID 61323629

IUPAC1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1noc(Cc2ccccc2)n1
InChIInChI=1S/C14H19N3O/c1-14(2,3)12(15)13-16-11(18-17-13)9-10-7-5-4-6-8-10/h4-8,12H,9,15H2,1-3H3
InChIKeyFSZHUEJTIFSOSB-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.71
Rot. Bonds3

About 1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine

1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine (PubChem CID 61323629) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine
PubChem CID61323629
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1noc(Cc2ccccc2)n1
InChIInChI=1S/C14H19N3O/c1-14(2,3)12(15)13-16-11(18-17-13)9-10-7-5-4-6-8-10/h4-8,12H,9,15H2,1-3H3
InChIKeyFSZHUEJTIFSOSB-UHFFFAOYSA-N
XLogP2.71
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine (CID 61323629) is 1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine is CC(C)(C)C(N)c1noc(Cc2ccccc2)n1.
What is the InChIKey of 1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine?
The InChIKey is FSZHUEJTIFSOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-14(2,3)12(15)13-16-11(18-17-13)9-10-7-5-4-6-8-10/h4-8,12H,9,15H2,1-3H3.
What are the key properties of 1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine?
1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 61323629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).