5-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-6-oxa-4-azaspiro[2.4]hept-4-ene

C12H18N2O2 — CID 163449515

IUPAC5-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-6-oxa-4-azaspiro[2.4]hept-4-ene
SMILESCC1(C)COC(CCC2=NC3(CC3)CO2)=N1
InChIInChI=1S/C12H18N2O2/c1-11(2)7-15-9(13-11)3-4-10-14-12(5-6-12)8-16-10/h3-8H2,1-2H3
InChIKeyBFKKXKLRNHLHTJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.94
Rot. Bonds3

About 5-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-6-oxa-4-azaspiro[2.4]hept-4-ene

5-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-6-oxa-4-azaspiro[2.4]hept-4-ene (PubChem CID 163449515) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-6-oxa-4-azaspiro[2.4]hept-4-ene.

Molecular Properties

Compound Name5-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-6-oxa-4-azaspiro[2.4]hept-4-ene
PubChem CID163449515
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name5-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-6-oxa-4-azaspiro[2.4]hept-4-ene
SMILESCC1(C)COC(CCC2=NC3(CC3)CO2)=N1
InChIInChI=1S/C12H18N2O2/c1-11(2)7-15-9(13-11)3-4-10-14-12(5-6-12)8-16-10/h3-8H2,1-2H3
InChIKeyBFKKXKLRNHLHTJ-UHFFFAOYSA-N
XLogP1.94
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-6-oxa-4-azaspiro[2.4]hept-4-ene with MolForge

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Related Compounds

2-(15-fluoropentadecyl)-4,4-dimethyl-5H-1,3-oxazole
CID 91705204
4,4-dimethyl-2-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]-5H-1,3-oxazole
CID 91705221
2-(methoxymethyl)-4,4-dimethyl-5H-1,3-oxazole
CID 3041075
4,4-dimethyl-2-(3-phenylpropyl)-5H-1,3-oxazole
CID 10727505
O-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]hydroxylamine
CID 142932736
2-[(12Z,15Z)-heptadeca-12,15-dienyl]-4,4-dimethyl-5H-1,3-oxazole
CID 91712816
2-[(E)-heptadec-8-enyl]-4,4-dimethyl-5H-1,3-oxazole
CID 5370405
2-[(9E,11E)-heptadeca-9,11-dienyl]-4,4-dimethyl-5H-1,3-oxazole
CID 5370410
2-[[5-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-4,4-dimethyl-5H-1,3-oxazole
CID 101336400
2-(1-ethylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole
CID 71426920
2-(12-cyclopent-2-en-1-yldodecyl)-4,4-dimethyl-5H-1,3-oxazole
CID 91705170
2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-nitrophenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 5255425

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-6-oxa-4-azaspiro[2.4]hept-4-ene?
The IUPAC name of 5-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-6-oxa-4-azaspiro[2.4]hept-4-ene (CID 163449515) is 5-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-6-oxa-4-azaspiro[2.4]hept-4-ene.
What is the SMILES notation for 5-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-6-oxa-4-azaspiro[2.4]hept-4-ene?
The canonical SMILES for 5-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-6-oxa-4-azaspiro[2.4]hept-4-ene is CC1(C)COC(CCC2=NC3(CC3)CO2)=N1.
What is the InChIKey of 5-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-6-oxa-4-azaspiro[2.4]hept-4-ene?
The InChIKey is BFKKXKLRNHLHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-11(2)7-15-9(13-11)3-4-10-14-12(5-6-12)8-16-10/h3-8H2,1-2H3.
What are the key properties of 5-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-6-oxa-4-azaspiro[2.4]hept-4-ene?
5-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-6-oxa-4-azaspiro[2.4]hept-4-ene has a molecular weight of 222.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-6-oxa-4-azaspiro[2.4]hept-4-ene is sourced from PubChem (CID 163449515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).