[7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

C17H24N2O4 — CID 155880606

IUPAC[7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
SMILESCOCCC1COC2(C1)CN(C(=O)c1noc3c1CCCC3)C2
InChIInChI=1S/C17H24N2O4/c1-21-7-6-12-8-17(22-9-12)10-19(11-17)16(20)15-13-4-2-3-5-14(13)23-18-15/h12H,2-11H2,1H3
InChIKeyMCBSZZROUDAVMI-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.82
Rot. Bonds4

About [7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

[7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone (PubChem CID 155880606) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is [7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone.

Molecular Properties

Compound Name[7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
PubChem CID155880606
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name[7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
SMILESCOCCC1COC2(C1)CN(C(=O)c1noc3c1CCCC3)C2
InChIInChI=1S/C17H24N2O4/c1-21-7-6-12-8-17(22-9-12)10-19(11-17)16(20)15-13-4-2-3-5-14(13)23-18-15/h12H,2-11H2,1H3
InChIKeyMCBSZZROUDAVMI-UHFFFAOYSA-N
XLogP1.82
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
The IUPAC name of [7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone (CID 155880606) is [7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone.
What is the SMILES notation for [7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
The canonical SMILES for [7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone is COCCC1COC2(C1)CN(C(=O)c1noc3c1CCCC3)C2.
What is the InChIKey of [7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
The InChIKey is MCBSZZROUDAVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-21-7-6-12-8-17(22-9-12)10-19(11-17)16(20)15-13-4-2-3-5-14(13)23-18-15/h12H,2-11H2,1H3.
What are the key properties of [7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
[7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone has a molecular weight of 320.39 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone is sourced from PubChem (CID 155880606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).