3-(1-methylpyrazol-3-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole

C14H21N5O — CID 65196055

IUPAC3-(1-methylpyrazol-3-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(-c3ccn(C)n3)no2)CCNCC1
InChIInChI=1S/C14H21N5O/c1-3-5-14(6-8-15-9-7-14)13-16-12(18-20-13)11-4-10-19(2)17-11/h4,10,15H,3,5-9H2,1-2H3
InChIKeyWCPYBVQDSHDBKF-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.89
Rot. Bonds4

About 3-(1-methylpyrazol-3-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole

3-(1-methylpyrazol-3-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 65196055) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 3-(1-methylpyrazol-3-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylpyrazol-3-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID65196055
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name3-(1-methylpyrazol-3-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(-c3ccn(C)n3)no2)CCNCC1
InChIInChI=1S/C14H21N5O/c1-3-5-14(6-8-15-9-7-14)13-16-12(18-20-13)11-4-10-19(2)17-11/h4,10,15H,3,5-9H2,1-2H3
InChIKeyWCPYBVQDSHDBKF-UHFFFAOYSA-N
XLogP1.89
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-3-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylpyrazol-3-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole (CID 65196055) is 3-(1-methylpyrazol-3-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylpyrazol-3-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylpyrazol-3-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole is CCCC1(c2nc(-c3ccn(C)n3)no2)CCNCC1.
What is the InChIKey of 3-(1-methylpyrazol-3-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is WCPYBVQDSHDBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-3-5-14(6-8-15-9-7-14)13-16-12(18-20-13)11-4-10-19(2)17-11/h4,10,15H,3,5-9H2,1-2H3.
What are the key properties of 3-(1-methylpyrazol-3-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole?
3-(1-methylpyrazol-3-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 275.36 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-3-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 65196055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).