3-(methoxymethyl)-5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole

C21H28N8O3 — CID 70855999

IUPAC3-(methoxymethyl)-5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole
SMILESCOCc1noc(N2CCC([C@H]3C[C@H]3CCOc3ncc(-n4cnnn4)cc3C)CC2)n1
InChIInChI=1S/C21H28N8O3/c1-14-9-17(29-13-23-26-27-29)11-22-20(14)31-8-5-16-10-18(16)15-3-6-28(7-4-15)21-24-19(12-30-2)25-32-21/h9,11,13,15-16,18H,3-8,10,12H2,1-2H3/t16-,18-/m1/s1
InChIKeyLTOASEYJQCWLJX-SJLPKXTDSA-N
MW440.51 g/mol
LogP2.22
Rot. Bonds9

About 3-(methoxymethyl)-5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole

3-(methoxymethyl)-5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole (PubChem CID 70855999) has the molecular formula C21H28N8O3 and a molecular weight of 440.51 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(methoxymethyl)-5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole
PubChem CID70855999
Molecular FormulaC21H28N8O3
Molecular Weight440.51 g/mol
Exact Mass440.23
IUPAC Name3-(methoxymethyl)-5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole
SMILESCOCc1noc(N2CCC([C@H]3C[C@H]3CCOc3ncc(-n4cnnn4)cc3C)CC2)n1
InChIInChI=1S/C21H28N8O3/c1-14-9-17(29-13-23-26-27-29)11-22-20(14)31-8-5-16-10-18(16)15-3-6-28(7-4-15)21-24-19(12-30-2)25-32-21/h9,11,13,15-16,18H,3-8,10,12H2,1-2H3/t16-,18-/m1/s1
InChIKeyLTOASEYJQCWLJX-SJLPKXTDSA-N
XLogP2.22
TPSA117.11 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.51
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 3-(methoxymethyl)-5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(methoxymethyl)-5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole (CID 70855999) is 3-(methoxymethyl)-5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(methoxymethyl)-5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(methoxymethyl)-5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole is COCc1noc(N2CCC([C@H]3C[C@H]3CCOc3ncc(-n4cnnn4)cc3C)CC2)n1.
What is the InChIKey of 3-(methoxymethyl)-5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole?
The InChIKey is LTOASEYJQCWLJX-SJLPKXTDSA-N. The full InChI is InChI=1S/C21H28N8O3/c1-14-9-17(29-13-23-26-27-29)11-22-20(14)31-8-5-16-10-18(16)15-3-6-28(7-4-15)21-24-19(12-30-2)25-32-21/h9,11,13,15-16,18H,3-8,10,12H2,1-2H3/t16-,18-/m1/s1.
What are the key properties of 3-(methoxymethyl)-5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole?
3-(methoxymethyl)-5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole has a molecular weight of 440.51 g/mol, XLogP of 2.22, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 70855999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).