2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-olate

C8H14NO2- — CID 102150062

IUPAC2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-olate
SMILESCC1(C)COC(C(C)(C)[O-])=N1
InChIInChI=1S/C8H14NO2/c1-7(2)5-11-6(9-7)8(3,4)10/h5H2,1-4H3/q-1
InChIKeyGIWYSQOCLVWBMK-UHFFFAOYSA-N
MW156.20 g/mol
LogP0.33
Rot. Bonds1

About 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-olate

2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-olate (PubChem CID 102150062) has the molecular formula C8H14NO2- and a molecular weight of 156.20 g/mol. Its IUPAC name is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-olate.

Molecular Properties

Compound Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-olate
PubChem CID102150062
Molecular FormulaC8H14NO2-
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-olate
SMILESCC1(C)COC(C(C)(C)[O-])=N1
InChIInChI=1S/C8H14NO2/c1-7(2)5-11-6(9-7)8(3,4)10/h5H2,1-4H3/q-1
InChIKeyGIWYSQOCLVWBMK-UHFFFAOYSA-N
XLogP0.33
TPSA44.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-olate?
The IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-olate (CID 102150062) is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-olate.
What is the SMILES notation for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-olate?
The canonical SMILES for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-olate is CC1(C)COC(C(C)(C)[O-])=N1.
What is the InChIKey of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-olate?
The InChIKey is GIWYSQOCLVWBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NO2/c1-7(2)5-11-6(9-7)8(3,4)10/h5H2,1-4H3/q-1.
What are the key properties of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-olate?
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-olate has a molecular weight of 156.20 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-olate is sourced from PubChem (CID 102150062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).