[3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl acetate

C11H12N2O4 — CID 2744858

IUPAC[3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl acetate
SMILESCC(=O)OCc1c(C)noc1-c1cc(C)on1
InChIInChI=1S/C11H12N2O4/c1-6-4-10(13-16-6)11-9(5-15-8(3)14)7(2)12-17-11/h4H,5H2,1-3H3
InChIKeyMMCWTTAVGCETFZ-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.01
Rot. Bonds3

About [3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl acetate

[3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl acetate (PubChem CID 2744858) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is [3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl acetate.

Molecular Properties

Compound Name[3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl acetate
PubChem CID2744858
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name[3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl acetate
SMILESCC(=O)OCc1c(C)noc1-c1cc(C)on1
InChIInChI=1S/C11H12N2O4/c1-6-4-10(13-16-6)11-9(5-15-8(3)14)7(2)12-17-11/h4H,5H2,1-3H3
InChIKeyMMCWTTAVGCETFZ-UHFFFAOYSA-N
XLogP2.01
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide
CID 2744821
[3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl 4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 6734916
3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-4-propan-2-yl-1,2-oxazole
CID 146910981
[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1,2-oxazol-4-yl]methyl hydrogen carbonate
CID 162350991
3-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide
CID 142308828
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 91819244
2-[4-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-5-yl]acetamide
CID 141277958
N'-[2-(3,4-difluorophenyl)acetyl]-3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide
CID 6736047
5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 131400101
ethyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate
CID 134367383
[3-acetyloxy-5-(methoxymethyl)-2-methyl-4-pyridinyl]methyl acetate
CID 122642714
[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl] acetate
CID 3758692

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl acetate?
The IUPAC name of [3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl acetate (CID 2744858) is [3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl acetate.
What is the SMILES notation for [3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl acetate?
The canonical SMILES for [3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl acetate is CC(=O)OCc1c(C)noc1-c1cc(C)on1.
What is the InChIKey of [3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl acetate?
The InChIKey is MMCWTTAVGCETFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-6-4-10(13-16-6)11-9(5-15-8(3)14)7(2)12-17-11/h4H,5H2,1-3H3.
What are the key properties of [3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl acetate?
[3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl acetate has a molecular weight of 236.23 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl acetate is sourced from PubChem (CID 2744858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).