methyl 4-ethyl-2-methyl-1,3-oxazole-5-carboxylate

C8H11NO3 — CID 15093937

IUPACmethyl 4-ethyl-2-methyl-1,3-oxazole-5-carboxylate
SMILESCCc1nc(C)oc1C(=O)OC
InChIInChI=1S/C8H11NO3/c1-4-6-7(8(10)11-3)12-5(2)9-6/h4H2,1-3H3
InChIKeyHFYIGKNLHUPDOB-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.33
Rot. Bonds2

About methyl 4-ethyl-2-methyl-1,3-oxazole-5-carboxylate

methyl 4-ethyl-2-methyl-1,3-oxazole-5-carboxylate (PubChem CID 15093937) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is methyl 4-ethyl-2-methyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethyl-2-methyl-1,3-oxazole-5-carboxylate
PubChem CID15093937
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Namemethyl 4-ethyl-2-methyl-1,3-oxazole-5-carboxylate
SMILESCCc1nc(C)oc1C(=O)OC
InChIInChI=1S/C8H11NO3/c1-4-6-7(8(10)11-3)12-5(2)9-6/h4H2,1-3H3
InChIKeyHFYIGKNLHUPDOB-UHFFFAOYSA-N
XLogP1.33
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-ethyl-2-methyl-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 4-ethyl-2-methyl-1,3-oxazole-5-carboxylate (CID 15093937) is methyl 4-ethyl-2-methyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 4-ethyl-2-methyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 4-ethyl-2-methyl-1,3-oxazole-5-carboxylate is CCc1nc(C)oc1C(=O)OC.
What is the InChIKey of methyl 4-ethyl-2-methyl-1,3-oxazole-5-carboxylate?
The InChIKey is HFYIGKNLHUPDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-4-6-7(8(10)11-3)12-5(2)9-6/h4H2,1-3H3.
What are the key properties of methyl 4-ethyl-2-methyl-1,3-oxazole-5-carboxylate?
methyl 4-ethyl-2-methyl-1,3-oxazole-5-carboxylate has a molecular weight of 169.18 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethyl-2-methyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 15093937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).