methyl 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate

C10H10N2O4 — CID 658926

IUPACmethyl 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(C)noc1-c1cc(C)on1
InChIInChI=1S/C10H10N2O4/c1-5-4-7(12-15-5)9-8(10(13)14-3)6(2)11-16-9/h4H,1-3H3
InChIKeyFDSIFWDGJSJXMP-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.73
Rot. Bonds2

About methyl 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate

methyl 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate (PubChem CID 658926) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is methyl 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate
PubChem CID658926
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Namemethyl 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(C)noc1-c1cc(C)on1
InChIInChI=1S/C10H10N2O4/c1-5-4-7(12-15-5)9-8(10(13)14-3)6(2)11-16-9/h4H,1-3H3
InChIKeyFDSIFWDGJSJXMP-UHFFFAOYSA-N
XLogP1.73
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate (CID 658926) is methyl 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate is COC(=O)c1c(C)noc1-c1cc(C)on1.
What is the InChIKey of methyl 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate?
The InChIKey is FDSIFWDGJSJXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-5-4-7(12-15-5)9-8(10(13)14-3)6(2)11-16-9/h4H,1-3H3.
What are the key properties of methyl 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate?
methyl 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate has a molecular weight of 222.20 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 658926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).