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

C20H27N5O2 — CID 71536207

IUPAC2-[1-(2-methoxyethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
SMILESCOCCN1CCC(c2nnc(-c3nn(C(C)C)c4ccccc34)o2)CC1
InChIInChI=1S/C20H27N5O2/c1-14(2)25-17-7-5-4-6-16(17)18(23-25)20-22-21-19(27-20)15-8-10-24(11-9-15)12-13-26-3/h4-7,14-15H,8-13H2,1-3H3
InChIKeyOBQZRZCCOLRCKJ-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.49
Rot. Bonds6

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

2-[1-(2-methoxyethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole (PubChem CID 71536207) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
PubChem CID71536207
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2-[1-(2-methoxyethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
SMILESCOCCN1CCC(c2nnc(-c3nn(C(C)C)c4ccccc34)o2)CC1
InChIInChI=1S/C20H27N5O2/c1-14(2)25-17-7-5-4-6-16(17)18(23-25)20-22-21-19(27-20)15-8-10-24(11-9-15)12-13-26-3/h4-7,14-15H,8-13H2,1-3H3
InChIKeyOBQZRZCCOLRCKJ-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
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-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(2-methoxyethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole (CID 71536207) is 2-[1-(2-methoxyethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(2-methoxyethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(2-methoxyethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole is COCCN1CCC(c2nnc(-c3nn(C(C)C)c4ccccc34)o2)CC1.
What is the InChIKey of 2-[1-(2-methoxyethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
The InChIKey is OBQZRZCCOLRCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14(2)25-17-7-5-4-6-16(17)18(23-25)20-22-21-19(27-20)15-8-10-24(11-9-15)12-13-26-3/h4-7,14-15H,8-13H2,1-3H3.
What are the key properties of 2-[1-(2-methoxyethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
2-[1-(2-methoxyethyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole has a molecular weight of 369.47 g/mol, XLogP of 3.49, 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-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 71536207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).