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

C11H12N2O4 — CID 134367383

IUPACethyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2cc(C)on2)noc1C
InChIInChI=1S/C11H12N2O4/c1-4-15-11(14)9-7(3)17-13-10(9)8-5-6(2)16-12-8/h5H,4H2,1-3H3
InChIKeyGNIYEZQRJACKGI-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.12
Rot. Bonds3

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

ethyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate (PubChem CID 134367383) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is ethyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate
PubChem CID134367383
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Nameethyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2cc(C)on2)noc1C
InChIInChI=1S/C11H12N2O4/c1-4-15-11(14)9-7(3)17-13-10(9)8-5-6(2)16-12-8/h5H,4H2,1-3H3
InChIKeyGNIYEZQRJACKGI-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-methyl-3-[6-(trifluoromethyl)pyridazin-3-yl]-1,2-oxazole-4-carboxylate
CID 146272918
ethyl 5-methyl-3-(2-phenyltriazol-4-yl)-1,2-oxazole-4-carboxylate
CID 24774502
ethyl 3-acridin-9-yl-5-methyl-1,2-oxazole-4-carboxylate
CID 10065337
ethyl 5-methyl-3-(2-methylnaphthalen-1-yl)-1,2-oxazole-4-carboxylate
CID 102309200
ethyl 3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 134588402
ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxylate
CID 1486610
ethyl 5-methyl-3-propyl-1,2-oxazole-4-carboxylate
CID 66643541
ethyl 5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazole-4-carboxylate
CID 134588386
ethyl 3-benzoyl-5-methyl-1,2-oxazole-4-carboxylate
CID 102300604
ethyl 3-(2-methoxynaphthalen-1-yl)-5-methyl-1,2-oxazole-4-carboxylate
CID 102309206
2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 42977015
4-(chloromethyl)-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole
CID 146272852

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate (CID 134367383) is ethyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(-c2cc(C)on2)noc1C.
What is the InChIKey of ethyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate?
The InChIKey is GNIYEZQRJACKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-4-15-11(14)9-7(3)17-13-10(9)8-5-6(2)16-12-8/h5H,4H2,1-3H3.
What are the key properties of ethyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate?
ethyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate has a molecular weight of 236.23 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 134367383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).