(1S,2S,3R)-3-amino-2-[[3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-ol

C17H22N4O3 — CID 167794401

IUPAC(1S,2S,3R)-3-amino-2-[[3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-ol
SMILESN[C@@H]1C[C@H](O)[C@H]1Cc1nc(-c2ccc(OC3CCCC3)nc2)no1
InChIInChI=1S/C17H22N4O3/c18-13-8-14(22)12(13)7-16-20-17(21-24-16)10-5-6-15(19-9-10)23-11-3-1-2-4-11/h5-6,9,11-14,22H,1-4,7-8,18H2/t12-,13+,14-/m0/s1
InChIKeySSOZUSFFLHVYMD-MJBXVCDLSA-N
MW330.39 g/mol
LogP1.70
Rot. Bonds5

About (1S,2S,3R)-3-amino-2-[[3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-ol

(1S,2S,3R)-3-amino-2-[[3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-ol (PubChem CID 167794401) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is (1S,2S,3R)-3-amino-2-[[3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name(1S,2S,3R)-3-amino-2-[[3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-ol
PubChem CID167794401
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name(1S,2S,3R)-3-amino-2-[[3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-ol
SMILESN[C@@H]1C[C@H](O)[C@H]1Cc1nc(-c2ccc(OC3CCCC3)nc2)no1
InChIInChI=1S/C17H22N4O3/c18-13-8-14(22)12(13)7-16-20-17(21-24-16)10-5-6-15(19-9-10)23-11-3-1-2-4-11/h5-6,9,11-14,22H,1-4,7-8,18H2/t12-,13+,14-/m0/s1
InChIKeySSOZUSFFLHVYMD-MJBXVCDLSA-N
XLogP1.70
TPSA107.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1S,2S,3R)-3-amino-2-[[3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-ol 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 (1S,2S,3R)-3-amino-2-[[3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-ol?
The IUPAC name of (1S,2S,3R)-3-amino-2-[[3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-ol (CID 167794401) is (1S,2S,3R)-3-amino-2-[[3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-ol.
What is the SMILES notation for (1S,2S,3R)-3-amino-2-[[3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-ol?
The canonical SMILES for (1S,2S,3R)-3-amino-2-[[3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-ol is N[C@@H]1C[C@H](O)[C@H]1Cc1nc(-c2ccc(OC3CCCC3)nc2)no1.
What is the InChIKey of (1S,2S,3R)-3-amino-2-[[3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-ol?
The InChIKey is SSOZUSFFLHVYMD-MJBXVCDLSA-N. The full InChI is InChI=1S/C17H22N4O3/c18-13-8-14(22)12(13)7-16-20-17(21-24-16)10-5-6-15(19-9-10)23-11-3-1-2-4-11/h5-6,9,11-14,22H,1-4,7-8,18H2/t12-,13+,14-/m0/s1.
What are the key properties of (1S,2S,3R)-3-amino-2-[[3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-ol?
(1S,2S,3R)-3-amino-2-[[3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-ol has a molecular weight of 330.39 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R)-3-amino-2-[[3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-ol is sourced from PubChem (CID 167794401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).