2-[1-(oxan-4-ylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole

C23H31N5O2 — CID 71537032

IUPAC2-[1-(oxan-4-ylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
SMILESCC(C)n1nc(-c2nnc(C3CCN(CC4CCOCC4)CC3)o2)c2ccccc21
InChIInChI=1S/C23H31N5O2/c1-16(2)28-20-6-4-3-5-19(20)21(26-28)23-25-24-22(30-23)18-7-11-27(12-8-18)15-17-9-13-29-14-10-17/h3-6,16-18H,7-15H2,1-2H3
InChIKeyBVHLNQMKXPIQOB-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.27
Rot. Bonds5

About 2-[1-(oxan-4-ylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole

2-[1-(oxan-4-ylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole (PubChem CID 71537032) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-[1-(oxan-4-ylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(oxan-4-ylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
PubChem CID71537032
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name2-[1-(oxan-4-ylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
SMILESCC(C)n1nc(-c2nnc(C3CCN(CC4CCOCC4)CC3)o2)c2ccccc21
InChIInChI=1S/C23H31N5O2/c1-16(2)28-20-6-4-3-5-19(20)21(26-28)23-25-24-22(30-23)18-7-11-27(12-8-18)15-17-9-13-29-14-10-17/h3-6,16-18H,7-15H2,1-2H3
InChIKeyBVHLNQMKXPIQOB-UHFFFAOYSA-N
XLogP4.27
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxan-4-ylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(oxan-4-ylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole (CID 71537032) is 2-[1-(oxan-4-ylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(oxan-4-ylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(oxan-4-ylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole is CC(C)n1nc(-c2nnc(C3CCN(CC4CCOCC4)CC3)o2)c2ccccc21.
What is the InChIKey of 2-[1-(oxan-4-ylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
The InChIKey is BVHLNQMKXPIQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-16(2)28-20-6-4-3-5-19(20)21(26-28)23-25-24-22(30-23)18-7-11-27(12-8-18)15-17-9-13-29-14-10-17/h3-6,16-18H,7-15H2,1-2H3.
What are the key properties of 2-[1-(oxan-4-ylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
2-[1-(oxan-4-ylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole has a molecular weight of 409.53 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxan-4-ylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 71537032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).