6-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-1-oxa-6-azaspiro[2.5]octane

C13H18N2O2 — CID 142754320

IUPAC6-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-1-oxa-6-azaspiro[2.5]octane
SMILESc1nc(C2CC2)oc1CN1CCC2(CC1)CO2
InChIInChI=1S/C13H18N2O2/c1-2-10(1)12-14-7-11(17-12)8-15-5-3-13(4-6-15)9-16-13/h7,10H,1-6,8-9H2
InChIKeyDXBJTWFXQLCTFP-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.92
Rot. Bonds3

About 6-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-1-oxa-6-azaspiro[2.5]octane

6-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-1-oxa-6-azaspiro[2.5]octane (PubChem CID 142754320) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-1-oxa-6-azaspiro[2.5]octane.

Molecular Properties

Compound Name6-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-1-oxa-6-azaspiro[2.5]octane
PubChem CID142754320
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name6-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-1-oxa-6-azaspiro[2.5]octane
SMILESc1nc(C2CC2)oc1CN1CCC2(CC1)CO2
InChIInChI=1S/C13H18N2O2/c1-2-10(1)12-14-7-11(17-12)8-15-5-3-13(4-6-15)9-16-13/h7,10H,1-6,8-9H2
InChIKeyDXBJTWFXQLCTFP-UHFFFAOYSA-N
XLogP1.92
TPSA41.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-1-oxa-6-azaspiro[2.5]octane?
The IUPAC name of 6-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-1-oxa-6-azaspiro[2.5]octane (CID 142754320) is 6-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-1-oxa-6-azaspiro[2.5]octane.
What is the SMILES notation for 6-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-1-oxa-6-azaspiro[2.5]octane?
The canonical SMILES for 6-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-1-oxa-6-azaspiro[2.5]octane is c1nc(C2CC2)oc1CN1CCC2(CC1)CO2.
What is the InChIKey of 6-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-1-oxa-6-azaspiro[2.5]octane?
The InChIKey is DXBJTWFXQLCTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-10(1)12-14-7-11(17-12)8-15-5-3-13(4-6-15)9-16-13/h7,10H,1-6,8-9H2.
What are the key properties of 6-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-1-oxa-6-azaspiro[2.5]octane?
6-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-1-oxa-6-azaspiro[2.5]octane has a molecular weight of 234.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-1-oxa-6-azaspiro[2.5]octane is sourced from PubChem (CID 142754320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).