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

C11H14N2O4 — CID 91377504

IUPACmethyl 2-(2-ethyl-1,3-oxazol-4-yl)-4-methyl-5H-1,3-oxazole-4-carboxylate
SMILESCCc1nc(C2=NC(C)(C(=O)OC)CO2)co1
InChIInChI=1S/C11H14N2O4/c1-4-8-12-7(5-16-8)9-13-11(2,6-17-9)10(14)15-3/h5H,4,6H2,1-3H3
InChIKeyWUSBHTBZMKFIQH-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.95
Rot. Bonds3

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

methyl 2-(2-ethyl-1,3-oxazol-4-yl)-4-methyl-5H-1,3-oxazole-4-carboxylate (PubChem CID 91377504) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is methyl 2-(2-ethyl-1,3-oxazol-4-yl)-4-methyl-5H-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-ethyl-1,3-oxazol-4-yl)-4-methyl-5H-1,3-oxazole-4-carboxylate
PubChem CID91377504
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Namemethyl 2-(2-ethyl-1,3-oxazol-4-yl)-4-methyl-5H-1,3-oxazole-4-carboxylate
SMILESCCc1nc(C2=NC(C)(C(=O)OC)CO2)co1
InChIInChI=1S/C11H14N2O4/c1-4-8-12-7(5-16-8)9-13-11(2,6-17-9)10(14)15-3/h5H,4,6H2,1-3H3
InChIKeyWUSBHTBZMKFIQH-UHFFFAOYSA-N
XLogP0.95
TPSA73.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-ethyl-1,3-oxazol-4-yl)-4-methyl-5H-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-(2-ethyl-1,3-oxazol-4-yl)-4-methyl-5H-1,3-oxazole-4-carboxylate (CID 91377504) is methyl 2-(2-ethyl-1,3-oxazol-4-yl)-4-methyl-5H-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-(2-ethyl-1,3-oxazol-4-yl)-4-methyl-5H-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-(2-ethyl-1,3-oxazol-4-yl)-4-methyl-5H-1,3-oxazole-4-carboxylate is CCc1nc(C2=NC(C)(C(=O)OC)CO2)co1.
What is the InChIKey of methyl 2-(2-ethyl-1,3-oxazol-4-yl)-4-methyl-5H-1,3-oxazole-4-carboxylate?
The InChIKey is WUSBHTBZMKFIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-4-8-12-7(5-16-8)9-13-11(2,6-17-9)10(14)15-3/h5H,4,6H2,1-3H3.
What are the key properties of methyl 2-(2-ethyl-1,3-oxazol-4-yl)-4-methyl-5H-1,3-oxazole-4-carboxylate?
methyl 2-(2-ethyl-1,3-oxazol-4-yl)-4-methyl-5H-1,3-oxazole-4-carboxylate has a molecular weight of 238.24 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-ethyl-1,3-oxazol-4-yl)-4-methyl-5H-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 91377504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).