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

C7H13NO2 — CID 123949702

IUPAC3-(2-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole
SMILESCOC(C)(C)C1=NOCC1
InChIInChI=1S/C7H13NO2/c1-7(2,9-3)6-4-5-10-8-6/h4-5H2,1-3H3
InChIKeyWSLKJLOVQZBQFZ-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.19
Rot. Bonds2

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

3-(2-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole (PubChem CID 123949702) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-(2-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(2-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole
PubChem CID123949702
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-(2-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole
SMILESCOC(C)(C)C1=NOCC1
InChIInChI=1S/C7H13NO2/c1-7(2,9-3)6-4-5-10-8-6/h4-5H2,1-3H3
InChIKeyWSLKJLOVQZBQFZ-UHFFFAOYSA-N
XLogP1.19
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Dihydro-5,5-dimethyl-3-isoxazolemethanol
CID 102278697
3-(1-methoxyethyl)-5,5-dimethyl-4H-1,2-oxazole
CID 20671521
3-(2-methoxypropan-2-yl)-5,5-dimethyl-4H-1,2-oxazole
CID 58544105
CID 58544115
CID 58544115
CID 58544156
CID 58544156
CID 58544195
CID 58544195
CID 58544224
CID 58544224
CID 58544226
CID 58544226
5-(methanidyloxymethyl)-3,5-dimethyl-4H-1,2-oxazole;yttrium
CID 59729894
2-(4,5-Dihydro-1,2-oxazol-3-yl)propan-2-ol
CID 118528273
3-(methoxymethyl)-5,5-dimethyl-4H-1,2-oxazole
CID 123899620
3-[(2-Methylpropan-2-yl)oxymethyl]-4,5-dihydro-1,2-oxazole
CID 137447745

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(2-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole (CID 123949702) is 3-(2-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(2-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(2-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole is COC(C)(C)C1=NOCC1.
What is the InChIKey of 3-(2-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole?
The InChIKey is WSLKJLOVQZBQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(2,9-3)6-4-5-10-8-6/h4-5H2,1-3H3.
What are the key properties of 3-(2-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole?
3-(2-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole has a molecular weight of 143.19 g/mol, XLogP of 1.19, 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)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 123949702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).