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

C9H9N3O4 — CID 177312454

IUPACethyl 5-(5-methyl-1,3-oxazol-2-yl)-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(-c2ncc(C)o2)o1
InChIInChI=1S/C9H9N3O4/c1-3-14-9(13)8-12-11-7(16-8)6-10-4-5(2)15-6/h4H,3H2,1-2H3
InChIKeyPIXNWXVPFITZIG-UHFFFAOYSA-N
MW223.19 g/mol
LogP1.21
Rot. Bonds3

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

ethyl 5-(5-methyl-1,3-oxazol-2-yl)-1,3,4-oxadiazole-2-carboxylate (PubChem CID 177312454) has the molecular formula C9H9N3O4 and a molecular weight of 223.19 g/mol. Its IUPAC name is ethyl 5-(5-methyl-1,3-oxazol-2-yl)-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(5-methyl-1,3-oxazol-2-yl)-1,3,4-oxadiazole-2-carboxylate
PubChem CID177312454
Molecular FormulaC9H9N3O4
Molecular Weight223.19 g/mol
Exact Mass223.06
IUPAC Nameethyl 5-(5-methyl-1,3-oxazol-2-yl)-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(-c2ncc(C)o2)o1
InChIInChI=1S/C9H9N3O4/c1-3-14-9(13)8-12-11-7(16-8)6-10-4-5(2)15-6/h4H,3H2,1-2H3
InChIKeyPIXNWXVPFITZIG-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 5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619393
ethyl 5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole-2-carboxylate
CID 136924736
ethyl 5-(4-aminophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 70211595
ethyl 5-(4-ethylphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112685410
ethyl 5-(6-ethoxypyrazin-2-yl)-1,3,4-oxadiazole-2-carboxylate
CID 167386601
ethyl 5-quinoxalin-6-yl-1,3,4-oxadiazole-2-carboxylate
CID 115960764
ethyl 5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole-2-carboxylate
CID 112685416
ethyl 5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxylate
CID 2815834
ethyl 5-(4-bromo-2,6-difluorophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619311
ethyl 5-quinolin-4-yl-1,3,4-oxadiazole-2-carboxylate
CID 115960787
ethyl 5-(2-methoxy-5-methylphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619183
ethyl 5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazole-2-carboxylate
CID 112619254

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(5-methyl-1,3-oxazol-2-yl)-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of ethyl 5-(5-methyl-1,3-oxazol-2-yl)-1,3,4-oxadiazole-2-carboxylate (CID 177312454) is ethyl 5-(5-methyl-1,3-oxazol-2-yl)-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-(5-methyl-1,3-oxazol-2-yl)-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for ethyl 5-(5-methyl-1,3-oxazol-2-yl)-1,3,4-oxadiazole-2-carboxylate is CCOC(=O)c1nnc(-c2ncc(C)o2)o1.
What is the InChIKey of ethyl 5-(5-methyl-1,3-oxazol-2-yl)-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is PIXNWXVPFITZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4/c1-3-14-9(13)8-12-11-7(16-8)6-10-4-5(2)15-6/h4H,3H2,1-2H3.
What are the key properties of ethyl 5-(5-methyl-1,3-oxazol-2-yl)-1,3,4-oxadiazole-2-carboxylate?
ethyl 5-(5-methyl-1,3-oxazol-2-yl)-1,3,4-oxadiazole-2-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 5-(5-methyl-1,3-oxazol-2-yl)-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 177312454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).