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

C16H25N3O3 — CID 72875069

IUPAC(1R,3S)-7-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
SMILESCCO[C@H]1C[C@@H](O)C12CCN(Cc1nnc(C3CC3)o1)CC2
InChIInChI=1S/C16H25N3O3/c1-2-21-13-9-12(20)16(13)5-7-19(8-6-16)10-14-17-18-15(22-14)11-3-4-11/h11-13,20H,2-10H2,1H3/t12-,13+/m1/s1
InChIKeyGRRGKWCPOMQPFG-OLZOCXBDSA-N
MW307.39 g/mol
LogP1.70
Rot. Bonds5

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

(1R,3S)-7-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol (PubChem CID 72875069) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is (1R,3S)-7-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name(1R,3S)-7-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
PubChem CID72875069
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name(1R,3S)-7-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
SMILESCCO[C@H]1C[C@@H](O)C12CCN(Cc1nnc(C3CC3)o1)CC2
InChIInChI=1S/C16H25N3O3/c1-2-21-13-9-12(20)16(13)5-7-19(8-6-16)10-14-17-18-15(22-14)11-3-4-11/h11-13,20H,2-10H2,1H3/t12-,13+/m1/s1
InChIKeyGRRGKWCPOMQPFG-OLZOCXBDSA-N
XLogP1.70
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R,3S)-7-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-ethoxy-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)-7-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of (1R,3S)-7-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol (CID 72875069) is (1R,3S)-7-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for (1R,3S)-7-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for (1R,3S)-7-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol is CCO[C@H]1C[C@@H](O)C12CCN(Cc1nnc(C3CC3)o1)CC2.
What is the InChIKey of (1R,3S)-7-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is GRRGKWCPOMQPFG-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-2-21-13-9-12(20)16(13)5-7-19(8-6-16)10-14-17-18-15(22-14)11-3-4-11/h11-13,20H,2-10H2,1H3/t12-,13+/m1/s1.
What are the key properties of (1R,3S)-7-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
(1R,3S)-7-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 307.39 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-7-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 72875069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).