9-(1,2-oxazol-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decane

C12H18N2O2 — CID 71915804

IUPAC9-(1,2-oxazol-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decane
SMILESc1cc(CN2CCOC3(CCCC3)C2)no1
InChIInChI=1S/C12H18N2O2/c1-2-5-12(4-1)10-14(6-8-15-12)9-11-3-7-16-13-11/h3,7H,1-2,4-6,8-10H2
InChIKeyNWKDMHMLZUNTNV-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.82
Rot. Bonds2

About 9-(1,2-oxazol-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decane

9-(1,2-oxazol-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decane (PubChem CID 71915804) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 9-(1,2-oxazol-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-(1,2-oxazol-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decane
PubChem CID71915804
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name9-(1,2-oxazol-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decane
SMILESc1cc(CN2CCOC3(CCCC3)C2)no1
InChIInChI=1S/C12H18N2O2/c1-2-5-12(4-1)10-14(6-8-15-12)9-11-3-7-16-13-11/h3,7H,1-2,4-6,8-10H2
InChIKeyNWKDMHMLZUNTNV-UHFFFAOYSA-N
XLogP1.82
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(1,2-oxazol-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-(1,2-oxazol-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decane (CID 71915804) is 9-(1,2-oxazol-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-(1,2-oxazol-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-(1,2-oxazol-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decane is c1cc(CN2CCOC3(CCCC3)C2)no1.
What is the InChIKey of 9-(1,2-oxazol-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is NWKDMHMLZUNTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-5-12(4-1)10-14(6-8-15-12)9-11-3-7-16-13-11/h3,7H,1-2,4-6,8-10H2.
What are the key properties of 9-(1,2-oxazol-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decane?
9-(1,2-oxazol-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 222.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,2-oxazol-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 71915804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).