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

C17H24N4O2 — CID 138057806

IUPAC5-(4-methoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(-c2nnc(NC3CCN(C(C)C)CC3)o2)cc1
InChIInChI=1S/C17H24N4O2/c1-12(2)21-10-8-14(9-11-21)18-17-20-19-16(23-17)13-4-6-15(22-3)7-5-13/h4-7,12,14H,8-11H2,1-3H3,(H,18,20)
InChIKeyCAKJZCREWIKEFJ-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.03
Rot. Bonds5

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

5-(4-methoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 138057806) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine
PubChem CID138057806
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name5-(4-methoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(-c2nnc(NC3CCN(C(C)C)CC3)o2)cc1
InChIInChI=1S/C17H24N4O2/c1-12(2)21-10-8-14(9-11-21)18-17-20-19-16(23-17)13-4-6-15(22-3)7-5-13/h4-7,12,14H,8-11H2,1-3H3,(H,18,20)
InChIKeyCAKJZCREWIKEFJ-UHFFFAOYSA-N
XLogP3.03
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(4-methoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine (CID 138057806) is 5-(4-methoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine is COc1ccc(-c2nnc(NC3CCN(C(C)C)CC3)o2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is CAKJZCREWIKEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12(2)21-10-8-14(9-11-21)18-17-20-19-16(23-17)13-4-6-15(22-3)7-5-13/h4-7,12,14H,8-11H2,1-3H3,(H,18,20).
What are the key properties of 5-(4-methoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine?
5-(4-methoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 316.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 138057806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).