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

C9H9N3O4 — CID 71289099

IUPACethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(-c2noc(C)n2)n1
InChIInChI=1S/C9H9N3O4/c1-3-14-9(13)6-4-15-8(11-6)7-10-5(2)16-12-7/h4H,3H2,1-2H3
InChIKeyKIWBCKKBRSAEQA-UHFFFAOYSA-N
MW223.19 g/mol
LogP1.21
Rot. Bonds3

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

ethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-oxazole-4-carboxylate (PubChem CID 71289099) has the molecular formula C9H9N3O4 and a molecular weight of 223.19 g/mol. Its IUPAC name is ethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-oxazole-4-carboxylate
PubChem CID71289099
Molecular FormulaC9H9N3O4
Molecular Weight223.19 g/mol
Exact Mass223.06
IUPAC Nameethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(-c2noc(C)n2)n1
InChIInChI=1S/C9H9N3O4/c1-3-14-9(13)6-4-15-8(11-6)7-10-5(2)16-12-7/h4H,3H2,1-2H3
InChIKeyKIWBCKKBRSAEQA-UHFFFAOYSA-N
XLogP1.21
TPSA91.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate
CID 171366901
ethyl 2-(2-chlorophenyl)-1,3-oxazole-4-carboxylate
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ethyl 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole-4-carboxylate
CID 58296122
ethyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate
CID 53429626
ethyl 2-methylsulfonyl-1,3-oxazole-4-carboxylate
CID 151928550
ethyl 2-(4-bromo-2-fluorophenyl)-1,3-oxazole-4-carboxylate
CID 142682727
ethyl 2-[(E)-but-2-en-2-yl]-1,3-oxazole-4-carboxylate
CID 25215536
ethyl 2-(methyliminomethyl)-1,3-oxazole-4-carboxylate
CID 163648530
ethyl 5-deuterio-2-methyl-1,3-oxazole-4-carboxylate
CID 59316824
ethyl 2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 142693900
ethyl 2-[4-(3-aminophenoxy)pyrimidin-2-yl]-1,3-oxazole-4-carboxylate
CID 58917188
ethyl 2-[2-(carbamothioylamino)phenyl]-1,3-oxazole-4-carboxylate
CID 169358237

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-oxazole-4-carboxylate (CID 71289099) is ethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(-c2noc(C)n2)n1.
What is the InChIKey of ethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-oxazole-4-carboxylate?
The InChIKey is KIWBCKKBRSAEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4/c1-3-14-9(13)6-4-15-8(11-6)7-10-5(2)16-12-7/h4H,3H2,1-2H3.
What are the key properties of ethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-oxazole-4-carboxylate?
ethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-oxazole-4-carboxylate has a molecular weight of 223.19 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 71289099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).