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

C22H29N5O — CID 71536206

IUPAC2-[1-(cyclobutylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
SMILESCC(C)n1nc(-c2nnc(C3CCN(CC4CCC4)CC3)o2)c2ccccc21
InChIInChI=1S/C22H29N5O/c1-15(2)27-19-9-4-3-8-18(19)20(25-27)22-24-23-21(28-22)17-10-12-26(13-11-17)14-16-6-5-7-16/h3-4,8-9,15-17H,5-7,10-14H2,1-2H3
InChIKeyLVIZUKFRUKBLEZ-UHFFFAOYSA-N
MW379.51 g/mol
LogP4.65
Rot. Bonds5

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

2-[1-(cyclobutylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole (PubChem CID 71536206) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
PubChem CID71536206
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name2-[1-(cyclobutylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
SMILESCC(C)n1nc(-c2nnc(C3CCN(CC4CCC4)CC3)o2)c2ccccc21
InChIInChI=1S/C22H29N5O/c1-15(2)27-19-9-4-3-8-18(19)20(25-27)22-24-23-21(28-22)17-10-12-26(13-11-17)14-16-6-5-7-16/h3-4,8-9,15-17H,5-7,10-14H2,1-2H3
InChIKeyLVIZUKFRUKBLEZ-UHFFFAOYSA-N
XLogP4.65
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(cyclobutylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole (CID 71536206) is 2-[1-(cyclobutylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(cyclobutylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(cyclobutylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole is CC(C)n1nc(-c2nnc(C3CCN(CC4CCC4)CC3)o2)c2ccccc21.
What is the InChIKey of 2-[1-(cyclobutylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
The InChIKey is LVIZUKFRUKBLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-15(2)27-19-9-4-3-8-18(19)20(25-27)22-24-23-21(28-22)17-10-12-26(13-11-17)14-16-6-5-7-16/h3-4,8-9,15-17H,5-7,10-14H2,1-2H3.
What are the key properties of 2-[1-(cyclobutylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
2-[1-(cyclobutylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole has a molecular weight of 379.51 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 71536206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).