(1R,3S)-3-methoxy-7-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-7-azaspiro[3.5]nonan-1-ol

C14H23N3O4 — CID 70767183

IUPAC(1R,3S)-3-methoxy-7-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-7-azaspiro[3.5]nonan-1-ol
SMILESCOCc1noc(CN2CCC3(CC2)[C@H](O)C[C@@H]3OC)n1
InChIInChI=1S/C14H23N3O4/c1-19-9-12-15-13(21-16-12)8-17-5-3-14(4-6-17)10(18)7-11(14)20-2/h10-11,18H,3-9H2,1-2H3/t10-,11+/m1/s1
InChIKeySCNNXLBZWOEVPJ-MNOVXSKESA-N
MW297.36 g/mol
LogP0.58
Rot. Bonds5

About (1R,3S)-3-methoxy-7-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-7-azaspiro[3.5]nonan-1-ol

(1R,3S)-3-methoxy-7-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-7-azaspiro[3.5]nonan-1-ol (PubChem CID 70767183) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is (1R,3S)-3-methoxy-7-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name(1R,3S)-3-methoxy-7-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-7-azaspiro[3.5]nonan-1-ol
PubChem CID70767183
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name(1R,3S)-3-methoxy-7-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-7-azaspiro[3.5]nonan-1-ol
SMILESCOCc1noc(CN2CCC3(CC2)[C@H](O)C[C@@H]3OC)n1
InChIInChI=1S/C14H23N3O4/c1-19-9-12-15-13(21-16-12)8-17-5-3-14(4-6-17)10(18)7-11(14)20-2/h10-11,18H,3-9H2,1-2H3/t10-,11+/m1/s1
InChIKeySCNNXLBZWOEVPJ-MNOVXSKESA-N
XLogP0.58
TPSA80.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R,3S)-3-methoxy-7-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-7-azaspiro[3.5]nonan-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 (1R,3S)-3-methoxy-7-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of (1R,3S)-3-methoxy-7-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-7-azaspiro[3.5]nonan-1-ol (CID 70767183) is (1R,3S)-3-methoxy-7-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for (1R,3S)-3-methoxy-7-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for (1R,3S)-3-methoxy-7-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-7-azaspiro[3.5]nonan-1-ol is COCc1noc(CN2CCC3(CC2)[C@H](O)C[C@@H]3OC)n1.
What is the InChIKey of (1R,3S)-3-methoxy-7-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is SCNNXLBZWOEVPJ-MNOVXSKESA-N. The full InChI is InChI=1S/C14H23N3O4/c1-19-9-12-15-13(21-16-12)8-17-5-3-14(4-6-17)10(18)7-11(14)20-2/h10-11,18H,3-9H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of (1R,3S)-3-methoxy-7-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-7-azaspiro[3.5]nonan-1-ol?
(1R,3S)-3-methoxy-7-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 297.36 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-methoxy-7-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 70767183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).