3-(2-methoxypropan-2-yl)-5,5-dimethyl-4H-1,2-oxazole

C9H17NO2 — CID 58544105

IUPAC3-(2-methoxypropan-2-yl)-5,5-dimethyl-4H-1,2-oxazole
SMILESCOC(C)(C)C1=NOC(C)(C)C1
InChIInChI=1S/C9H17NO2/c1-8(2)6-7(10-12-8)9(3,4)11-5/h6H2,1-5H3
InChIKeyUIHFADAELQLWFE-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.97
Rot. Bonds2

About 3-(2-methoxypropan-2-yl)-5,5-dimethyl-4H-1,2-oxazole

3-(2-methoxypropan-2-yl)-5,5-dimethyl-4H-1,2-oxazole (PubChem CID 58544105) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(2-methoxypropan-2-yl)-5,5-dimethyl-4H-1,2-oxazole.

Molecular Properties

Compound Name3-(2-methoxypropan-2-yl)-5,5-dimethyl-4H-1,2-oxazole
PubChem CID58544105
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-(2-methoxypropan-2-yl)-5,5-dimethyl-4H-1,2-oxazole
SMILESCOC(C)(C)C1=NOC(C)(C)C1
InChIInChI=1S/C9H17NO2/c1-8(2)6-7(10-12-8)9(3,4)11-5/h6H2,1-5H3
InChIKeyUIHFADAELQLWFE-UHFFFAOYSA-N
XLogP1.97
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypropan-2-yl)-5,5-dimethyl-4H-1,2-oxazole?
The IUPAC name of 3-(2-methoxypropan-2-yl)-5,5-dimethyl-4H-1,2-oxazole (CID 58544105) is 3-(2-methoxypropan-2-yl)-5,5-dimethyl-4H-1,2-oxazole.
What is the SMILES notation for 3-(2-methoxypropan-2-yl)-5,5-dimethyl-4H-1,2-oxazole?
The canonical SMILES for 3-(2-methoxypropan-2-yl)-5,5-dimethyl-4H-1,2-oxazole is COC(C)(C)C1=NOC(C)(C)C1.
What is the InChIKey of 3-(2-methoxypropan-2-yl)-5,5-dimethyl-4H-1,2-oxazole?
The InChIKey is UIHFADAELQLWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2)6-7(10-12-8)9(3,4)11-5/h6H2,1-5H3.
What are the key properties of 3-(2-methoxypropan-2-yl)-5,5-dimethyl-4H-1,2-oxazole?
3-(2-methoxypropan-2-yl)-5,5-dimethyl-4H-1,2-oxazole has a molecular weight of 171.24 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypropan-2-yl)-5,5-dimethyl-4H-1,2-oxazole is sourced from PubChem (CID 58544105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).