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

C21H27N5O — CID 71536210

IUPAC2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
SMILESCC(C)n1nc(-c2nnc(C3CCN(CC4CC4)CC3)o2)c2ccccc21
InChIInChI=1S/C21H27N5O/c1-14(2)26-18-6-4-3-5-17(18)19(24-26)21-23-22-20(27-21)16-9-11-25(12-10-16)13-15-7-8-15/h3-6,14-16H,7-13H2,1-2H3
InChIKeyQZTKHUMXLKMPFW-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.26
Rot. Bonds5

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

2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole (PubChem CID 71536210) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
PubChem CID71536210
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
SMILESCC(C)n1nc(-c2nnc(C3CCN(CC4CC4)CC3)o2)c2ccccc21
InChIInChI=1S/C21H27N5O/c1-14(2)26-18-6-4-3-5-17(18)19(24-26)21-23-22-20(27-21)16-9-11-25(12-10-16)13-15-7-8-15/h3-6,14-16H,7-13H2,1-2H3
InChIKeyQZTKHUMXLKMPFW-UHFFFAOYSA-N
XLogP4.26
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole (CID 71536210) is 2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole is CC(C)n1nc(-c2nnc(C3CCN(CC4CC4)CC3)o2)c2ccccc21.
What is the InChIKey of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
The InChIKey is QZTKHUMXLKMPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-14(2)26-18-6-4-3-5-17(18)19(24-26)21-23-22-20(27-21)16-9-11-25(12-10-16)13-15-7-8-15/h3-6,14-16H,7-13H2,1-2H3.
What are the key properties of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole has a molecular weight of 365.48 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 71536210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).