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

C22H29N5O2 — CID 71536747

IUPAC2-[1-(oxan-4-yl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
SMILESCC(C)n1nc(-c2nnc(C3CCN(C4CCOCC4)CC3)o2)c2ccccc21
InChIInChI=1S/C22H29N5O2/c1-15(2)27-19-6-4-3-5-18(19)20(25-27)22-24-23-21(29-22)16-7-11-26(12-8-16)17-9-13-28-14-10-17/h3-6,15-17H,7-14H2,1-2H3
InChIKeyKHBGKYWBBOIOEW-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.03
Rot. Bonds4

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

2-[1-(oxan-4-yl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole (PubChem CID 71536747) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-[1-(oxan-4-yl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(oxan-4-yl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
PubChem CID71536747
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name2-[1-(oxan-4-yl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
SMILESCC(C)n1nc(-c2nnc(C3CCN(C4CCOCC4)CC3)o2)c2ccccc21
InChIInChI=1S/C22H29N5O2/c1-15(2)27-19-6-4-3-5-18(19)20(25-27)22-24-23-21(29-22)16-7-11-26(12-8-16)17-9-13-28-14-10-17/h3-6,15-17H,7-14H2,1-2H3
InChIKeyKHBGKYWBBOIOEW-UHFFFAOYSA-N
XLogP4.03
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxan-4-yl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(oxan-4-yl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole (CID 71536747) is 2-[1-(oxan-4-yl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(oxan-4-yl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(oxan-4-yl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole is CC(C)n1nc(-c2nnc(C3CCN(C4CCOCC4)CC3)o2)c2ccccc21.
What is the InChIKey of 2-[1-(oxan-4-yl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
The InChIKey is KHBGKYWBBOIOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-15(2)27-19-6-4-3-5-18(19)20(25-27)22-24-23-21(29-22)16-7-11-26(12-8-16)17-9-13-28-14-10-17/h3-6,15-17H,7-14H2,1-2H3.
What are the key properties of 2-[1-(oxan-4-yl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
2-[1-(oxan-4-yl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole has a molecular weight of 395.51 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxan-4-yl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 71536747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).