2-[(1-cyclobutylpiperidin-4-yl)methyl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole

C22H29N5O — CID 71534484

IUPAC2-[(1-cyclobutylpiperidin-4-yl)methyl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
SMILESCC(C)n1nc(-c2nnc(CC3CCN(C4CCC4)CC3)o2)c2ccccc21
InChIInChI=1S/C22H29N5O/c1-15(2)27-19-9-4-3-8-18(19)21(25-27)22-24-23-20(28-22)14-16-10-12-26(13-11-16)17-6-5-7-17/h3-4,8-9,15-17H,5-7,10-14H2,1-2H3
InChIKeyOHUWJCNVHUZNQS-UHFFFAOYSA-N
MW379.51 g/mol
LogP4.47
Rot. Bonds5

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

2-[(1-cyclobutylpiperidin-4-yl)methyl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole (PubChem CID 71534484) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-[(1-cyclobutylpiperidin-4-yl)methyl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1-cyclobutylpiperidin-4-yl)methyl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
PubChem CID71534484
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name2-[(1-cyclobutylpiperidin-4-yl)methyl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
SMILESCC(C)n1nc(-c2nnc(CC3CCN(C4CCC4)CC3)o2)c2ccccc21
InChIInChI=1S/C22H29N5O/c1-15(2)27-19-9-4-3-8-18(19)21(25-27)22-24-23-20(28-22)14-16-10-12-26(13-11-16)17-6-5-7-17/h3-4,8-9,15-17H,5-7,10-14H2,1-2H3
InChIKeyOHUWJCNVHUZNQS-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

Suvn-d4010
CID 71508291
3-[5-(1-Cyclobutylmethyl-piperidin-4-yl)-[1,3,4]oxadiazol-2-yl]-1-isopropyl-1H-indazole
CID 71536206
1-Isopropyl-3-[5-(1-isopropyl-piperidin-4-yl)-[1,3,4]oxadiazol-2-yl]-1H-indazole
CID 71536209
3-[5-(1-Cyclopropylmethyl-piperidin-4-yl)-[1,3,4]oxadiazol-2-yl]-1-isopropyl-1H-indazole
CID 71536210
3-[5-(1-Cyclopentyl-piperidin-4-yl)-[1,3,4]oxadiazol-2-yl]-1-isopropyl-1H-indazole
CID 71536468
1-Isopropyl-3-{5-[1-(tetrahydro-pyran-4-yl)-piperidin-4-yl]-[1,3,4]oxadiazol-2-yl}-1H-indazole
CID 71536747
2-(1-Propan-2-ylpiperidin-4-yl)-5-(2-propan-2-ylpyrazolo[1,5-a]pyridin-7-yl)-1,3,4-oxadiazole
CID 145975297
1-Isopropyl-3-{5-[1-(2-methoxy-ethyl)-piperidin-4-yl]-[1,3,4]oxadiazol-2-yl}-1H-indazole
CID 71536207
3-[5-(1-Cyclobutyl-piperidin-4-yl)-[1,3,4]oxadiazol-2-yl]-1-isopropyl-1H-indazole
CID 71536208
1-Isopropyl-3-{5-[1-(3-methyl-butyl)-piperidin-4-yl]-[1,3,4]oxadiazol-2-yl}-1H-indazole
CID 71536211
3-[5-(1-Cyclopropyl-piperidin-4-yl)-[1,3,4]oxadiazol-2-yl]-1-isopropyl-1H-indazole
CID 71536212
1-Isopropyl-3-{5-[1-(tetrahydro-pyran-4-ylmethyl)-piperidin-4-yl]-[1,3,4]oxadiazol-2-yl}-1H-indazole
CID 71537032

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclobutylpiperidin-4-yl)methyl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(1-cyclobutylpiperidin-4-yl)methyl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole (CID 71534484) is 2-[(1-cyclobutylpiperidin-4-yl)methyl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1-cyclobutylpiperidin-4-yl)methyl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1-cyclobutylpiperidin-4-yl)methyl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole is CC(C)n1nc(-c2nnc(CC3CCN(C4CCC4)CC3)o2)c2ccccc21.
What is the InChIKey of 2-[(1-cyclobutylpiperidin-4-yl)methyl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
The InChIKey is OHUWJCNVHUZNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-15(2)27-19-9-4-3-8-18(19)21(25-27)22-24-23-20(28-22)14-16-10-12-26(13-11-16)17-6-5-7-17/h3-4,8-9,15-17H,5-7,10-14H2,1-2H3.
What are the key properties of 2-[(1-cyclobutylpiperidin-4-yl)methyl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
2-[(1-cyclobutylpiperidin-4-yl)methyl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole has a molecular weight of 379.51 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclobutylpiperidin-4-yl)methyl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 71534484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).