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

C20H27N5O2 — CID 172777098

IUPAC2-[1-(2-methoxyethyl)piperidin-2-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
SMILESCOCCN1CCCCC1c1nnc(-c2nn(C(C)C)c3ccccc23)o1
InChIInChI=1S/C20H27N5O2/c1-14(2)25-16-9-5-4-8-15(16)18(23-25)20-22-21-19(27-20)17-10-6-7-11-24(17)12-13-26-3/h4-5,8-9,14,17H,6-7,10-13H2,1-3H3
InChIKeyNTDJPWSANGZGOY-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.84
Rot. Bonds6

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

2-[1-(2-methoxyethyl)piperidin-2-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole (PubChem CID 172777098) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)piperidin-2-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)piperidin-2-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
PubChem CID172777098
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2-[1-(2-methoxyethyl)piperidin-2-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
SMILESCOCCN1CCCCC1c1nnc(-c2nn(C(C)C)c3ccccc23)o1
InChIInChI=1S/C20H27N5O2/c1-14(2)25-16-9-5-4-8-15(16)18(23-25)20-22-21-19(27-20)17-10-6-7-11-24(17)12-13-26-3/h4-5,8-9,14,17H,6-7,10-13H2,1-3H3
InChIKeyNTDJPWSANGZGOY-UHFFFAOYSA-N
XLogP3.84
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)piperidin-2-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(2-methoxyethyl)piperidin-2-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole (CID 172777098) is 2-[1-(2-methoxyethyl)piperidin-2-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(2-methoxyethyl)piperidin-2-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(2-methoxyethyl)piperidin-2-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole is COCCN1CCCCC1c1nnc(-c2nn(C(C)C)c3ccccc23)o1.
What is the InChIKey of 2-[1-(2-methoxyethyl)piperidin-2-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
The InChIKey is NTDJPWSANGZGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14(2)25-16-9-5-4-8-15(16)18(23-25)20-22-21-19(27-20)17-10-6-7-11-24(17)12-13-26-3/h4-5,8-9,14,17H,6-7,10-13H2,1-3H3.
What are the key properties of 2-[1-(2-methoxyethyl)piperidin-2-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
2-[1-(2-methoxyethyl)piperidin-2-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole has a molecular weight of 369.47 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)piperidin-2-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 172777098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).