5-benzyl-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine

C17H24N4O — CID 136551614

IUPAC5-benzyl-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)N1CCC(Nc2nnc(Cc3ccccc3)o2)CC1
InChIInChI=1S/C17H24N4O/c1-13(2)21-10-8-15(9-11-21)18-17-20-19-16(22-17)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,18,20)
InChIKeyPRYJOFGHSHKDMM-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.95
Rot. Bonds5

About 5-benzyl-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine

5-benzyl-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 136551614) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 5-benzyl-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-benzyl-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine
PubChem CID136551614
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name5-benzyl-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)N1CCC(Nc2nnc(Cc3ccccc3)o2)CC1
InChIInChI=1S/C17H24N4O/c1-13(2)21-10-8-15(9-11-21)18-17-20-19-16(22-17)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,18,20)
InChIKeyPRYJOFGHSHKDMM-UHFFFAOYSA-N
XLogP2.95
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-benzyl-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine (CID 136551614) is 5-benzyl-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-benzyl-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-benzyl-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine is CC(C)N1CCC(Nc2nnc(Cc3ccccc3)o2)CC1.
What is the InChIKey of 5-benzyl-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is PRYJOFGHSHKDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-13(2)21-10-8-15(9-11-21)18-17-20-19-16(22-17)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,18,20).
What are the key properties of 5-benzyl-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine?
5-benzyl-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 300.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 136551614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).