(2,4-dimethyl-5H-1,3-oxazol-4-yl)methyl acetate

C8H13NO3 — CID 154123314

IUPAC(2,4-dimethyl-5H-1,3-oxazol-4-yl)methyl acetate
SMILESCC(=O)OCC1(C)COC(C)=N1
InChIInChI=1S/C8H13NO3/c1-6-9-8(3,4-11-6)5-12-7(2)10/h4-5H2,1-3H3
InChIKeyZKLFPQZCPIEBGR-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.76
Rot. Bonds2

About (2,4-dimethyl-5H-1,3-oxazol-4-yl)methyl acetate

(2,4-dimethyl-5H-1,3-oxazol-4-yl)methyl acetate (PubChem CID 154123314) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (2,4-dimethyl-5H-1,3-oxazol-4-yl)methyl acetate.

Molecular Properties

Compound Name(2,4-dimethyl-5H-1,3-oxazol-4-yl)methyl acetate
PubChem CID154123314
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(2,4-dimethyl-5H-1,3-oxazol-4-yl)methyl acetate
SMILESCC(=O)OCC1(C)COC(C)=N1
InChIInChI=1S/C8H13NO3/c1-6-9-8(3,4-11-6)5-12-7(2)10/h4-5H2,1-3H3
InChIKeyZKLFPQZCPIEBGR-UHFFFAOYSA-N
XLogP0.76
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5(4H)-Oxazolone, 2,4,4-trimethyl-
CID 10103181
[3-(acetyloxymethyl)-5-methyl-6-oxo-2H-1,4-oxazin-3-yl]methyl acetate
CID 121006261
(2,4-diethyl-5H-1,3-oxazol-4-yl)methyl propanoate
CID 20360853
(2,4-diethyl-5H-1,3-oxazol-4-yl)methyl acetate
CID 20360854
2-Propyl-4-methyl-4-propionyloxymethyl-2-oxazoline
CID 20360856
(2-ethyl-4-methyl-5H-1,3-oxazol-4-yl)methyl propanoate
CID 20360860
2-Methyl-4-ethyl-4-butyryloxymethyl-2-oxazoline
CID 20360861
[4-(acetyloxymethyl)-5H-1,3-oxazol-4-yl]methyl acetate
CID 20398541
(4-methyl-5H-1,3-oxazol-4-yl)methyl acetate
CID 21567770
[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylpropyl] acetate
CID 69570838
[4-(acetyloxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]methyl acetate
CID 71249102
[4-(hydroxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]methyl acetate
CID 89115911

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-5H-1,3-oxazol-4-yl)methyl acetate?
The IUPAC name of (2,4-dimethyl-5H-1,3-oxazol-4-yl)methyl acetate (CID 154123314) is (2,4-dimethyl-5H-1,3-oxazol-4-yl)methyl acetate.
What is the SMILES notation for (2,4-dimethyl-5H-1,3-oxazol-4-yl)methyl acetate?
The canonical SMILES for (2,4-dimethyl-5H-1,3-oxazol-4-yl)methyl acetate is CC(=O)OCC1(C)COC(C)=N1.
What is the InChIKey of (2,4-dimethyl-5H-1,3-oxazol-4-yl)methyl acetate?
The InChIKey is ZKLFPQZCPIEBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-6-9-8(3,4-11-6)5-12-7(2)10/h4-5H2,1-3H3.
What are the key properties of (2,4-dimethyl-5H-1,3-oxazol-4-yl)methyl acetate?
(2,4-dimethyl-5H-1,3-oxazol-4-yl)methyl acetate has a molecular weight of 171.20 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-5H-1,3-oxazol-4-yl)methyl acetate is sourced from PubChem (CID 154123314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).