4-methoxy-3,5,5-trimethyl-4H-1,2-oxazole

C7H13NO2 — CID 140934005

IUPAC4-methoxy-3,5,5-trimethyl-4H-1,2-oxazole
SMILESCOC1C(C)=NOC1(C)C
InChIInChI=1S/C7H13NO2/c1-5-6(9-4)7(2,3)10-8-5/h6H,1-4H3
InChIKeyXEFWZWBPVDMCDM-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.19
Rot. Bonds1

About 4-methoxy-3,5,5-trimethyl-4H-1,2-oxazole

4-methoxy-3,5,5-trimethyl-4H-1,2-oxazole (PubChem CID 140934005) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 4-methoxy-3,5,5-trimethyl-4H-1,2-oxazole.

Molecular Properties

Compound Name4-methoxy-3,5,5-trimethyl-4H-1,2-oxazole
PubChem CID140934005
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name4-methoxy-3,5,5-trimethyl-4H-1,2-oxazole
SMILESCOC1C(C)=NOC1(C)C
InChIInChI=1S/C7H13NO2/c1-5-6(9-4)7(2,3)10-8-5/h6H,1-4H3
InChIKeyXEFWZWBPVDMCDM-UHFFFAOYSA-N
XLogP1.19
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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

3-(1-methoxyethyl)-5,5-dimethyl-4H-1,2-oxazole
CID 20671521
CID 58544115
CID 58544115
CID 58544195
CID 58544195
CID 58544224
CID 58544224
CID 58544226
CID 58544226
5-(methanidyloxymethyl)-3,5-dimethyl-4H-1,2-oxazole;yttrium
CID 59729894
(5S)-5-(methoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 89224807
3-(methoxymethyl)-5,5-dimethyl-4H-1,2-oxazole
CID 123899620
3-(2-Methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole
CID 123949702
(Z)-N-methoxy-3,5,5-trimethyl-1,2-oxazol-4-imine
CID 140933964
4-(2-methoxyethoxy)-3,5,5-trimethyl-4H-1,2-oxazole
CID 140934034
5-(Methoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 142863100

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5,5-trimethyl-4H-1,2-oxazole?
The IUPAC name of 4-methoxy-3,5,5-trimethyl-4H-1,2-oxazole (CID 140934005) is 4-methoxy-3,5,5-trimethyl-4H-1,2-oxazole.
What is the SMILES notation for 4-methoxy-3,5,5-trimethyl-4H-1,2-oxazole?
The canonical SMILES for 4-methoxy-3,5,5-trimethyl-4H-1,2-oxazole is COC1C(C)=NOC1(C)C.
What is the InChIKey of 4-methoxy-3,5,5-trimethyl-4H-1,2-oxazole?
The InChIKey is XEFWZWBPVDMCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5-6(9-4)7(2,3)10-8-5/h6H,1-4H3.
What are the key properties of 4-methoxy-3,5,5-trimethyl-4H-1,2-oxazole?
4-methoxy-3,5,5-trimethyl-4H-1,2-oxazole has a molecular weight of 143.19 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5,5-trimethyl-4H-1,2-oxazole is sourced from PubChem (CID 140934005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).