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

C10H10N2O4 — CID 146220676

IUPACethyl 5-(2-methyl-1,3-oxazol-5-yl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cnc(C)o2)on1
InChIInChI=1S/C10H10N2O4/c1-3-14-10(13)7-4-8(16-12-7)9-5-11-6(2)15-9/h4-5H,3H2,1-2H3
InChIKeyOTDCOPWRGANDHM-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.81
Rot. Bonds3

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

ethyl 5-(2-methyl-1,3-oxazol-5-yl)-1,2-oxazole-3-carboxylate (PubChem CID 146220676) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is ethyl 5-(2-methyl-1,3-oxazol-5-yl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-methyl-1,3-oxazol-5-yl)-1,2-oxazole-3-carboxylate
PubChem CID146220676
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Nameethyl 5-(2-methyl-1,3-oxazol-5-yl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cnc(C)o2)on1
InChIInChI=1S/C10H10N2O4/c1-3-14-10(13)7-4-8(16-12-7)9-5-11-6(2)15-9/h4-5H,3H2,1-2H3
InChIKeyOTDCOPWRGANDHM-UHFFFAOYSA-N
XLogP1.81
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-methyl-1,3-oxazol-5-yl)-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-(2-methyl-1,3-oxazol-5-yl)-1,2-oxazole-3-carboxylate (CID 146220676) is ethyl 5-(2-methyl-1,3-oxazol-5-yl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-methyl-1,3-oxazol-5-yl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-(2-methyl-1,3-oxazol-5-yl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2cnc(C)o2)on1.
What is the InChIKey of ethyl 5-(2-methyl-1,3-oxazol-5-yl)-1,2-oxazole-3-carboxylate?
The InChIKey is OTDCOPWRGANDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-3-14-10(13)7-4-8(16-12-7)9-5-11-6(2)15-9/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 5-(2-methyl-1,3-oxazol-5-yl)-1,2-oxazole-3-carboxylate?
ethyl 5-(2-methyl-1,3-oxazol-5-yl)-1,2-oxazole-3-carboxylate has a molecular weight of 222.20 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-methyl-1,3-oxazol-5-yl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 146220676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).