2-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-5-methoxy-1,3-benzoxazole

C17H22N2O3 — CID 154743308

IUPAC2-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-5-methoxy-1,3-benzoxazole
SMILESCCOC1CC2(CCN(c3nc4cc(OC)ccc4o3)C2)C1
InChIInChI=1S/C17H22N2O3/c1-3-21-13-9-17(10-13)6-7-19(11-17)16-18-14-8-12(20-2)4-5-15(14)22-16/h4-5,8,13H,3,6-7,9-11H2,1-2H3
InChIKeyRNQVFOARQWMFDS-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.23
Rot. Bonds4

About 2-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-5-methoxy-1,3-benzoxazole

2-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-5-methoxy-1,3-benzoxazole (PubChem CID 154743308) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-5-methoxy-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-5-methoxy-1,3-benzoxazole
PubChem CID154743308
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-5-methoxy-1,3-benzoxazole
SMILESCCOC1CC2(CCN(c3nc4cc(OC)ccc4o3)C2)C1
InChIInChI=1S/C17H22N2O3/c1-3-21-13-9-17(10-13)6-7-19(11-17)16-18-14-8-12(20-2)4-5-15(14)22-16/h4-5,8,13H,3,6-7,9-11H2,1-2H3
InChIKeyRNQVFOARQWMFDS-UHFFFAOYSA-N
XLogP3.23
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-5-methoxy-1,3-benzoxazole?
The IUPAC name of 2-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-5-methoxy-1,3-benzoxazole (CID 154743308) is 2-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-5-methoxy-1,3-benzoxazole.
What is the SMILES notation for 2-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-5-methoxy-1,3-benzoxazole?
The canonical SMILES for 2-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-5-methoxy-1,3-benzoxazole is CCOC1CC2(CCN(c3nc4cc(OC)ccc4o3)C2)C1.
What is the InChIKey of 2-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-5-methoxy-1,3-benzoxazole?
The InChIKey is RNQVFOARQWMFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-3-21-13-9-17(10-13)6-7-19(11-17)16-18-14-8-12(20-2)4-5-15(14)22-16/h4-5,8,13H,3,6-7,9-11H2,1-2H3.
What are the key properties of 2-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-5-methoxy-1,3-benzoxazole?
2-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-5-methoxy-1,3-benzoxazole has a molecular weight of 302.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-5-methoxy-1,3-benzoxazole is sourced from PubChem (CID 154743308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).