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

C11H11NO4 — CID 86067764

IUPACethyl 2-(furan-2-yl)-5-methyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccco2)oc1C
InChIInChI=1S/C11H11NO4/c1-3-14-11(13)9-7(2)16-10(12-9)8-5-4-6-15-8/h4-6H,3H2,1-2H3
InChIKeyIUCRMKYAYKMXJJ-UHFFFAOYSA-N
MW221.21 g/mol
LogP2.42
Rot. Bonds3

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

ethyl 2-(furan-2-yl)-5-methyl-1,3-oxazole-4-carboxylate (PubChem CID 86067764) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is ethyl 2-(furan-2-yl)-5-methyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(furan-2-yl)-5-methyl-1,3-oxazole-4-carboxylate
PubChem CID86067764
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Nameethyl 2-(furan-2-yl)-5-methyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccco2)oc1C
InChIInChI=1S/C11H11NO4/c1-3-14-11(13)9-7(2)16-10(12-9)8-5-4-6-15-8/h4-6H,3H2,1-2H3
InChIKeyIUCRMKYAYKMXJJ-UHFFFAOYSA-N
XLogP2.42
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 11108817
[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 31434620
ethyl 5-methyl-2-[6-(1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole-4-carboxylate
CID 10637863
ethyl 2-(2,5-dimethyl-1,3-oxazol-4-yl)-5-methyl-1,3-oxazole-4-carboxylate
CID 10911923
3-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]propanoic acid
CID 82127717
ethyl 4-(furan-2-yl)-5-methyl-1,3-thiazole-2-carboxylate
CID 62633596
ethyl 5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylate
CID 122477403
diethyl 5-methyl-1,3-oxazole-2,4-dicarboxylate
CID 10513471
ethyl 5-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole-4-carboxylate
CID 134942874
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 109388347
ethyl 2-(4-bromo-2-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxylate
CID 142682771
2-oxopropyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 55310658

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(furan-2-yl)-5-methyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(furan-2-yl)-5-methyl-1,3-oxazole-4-carboxylate (CID 86067764) is ethyl 2-(furan-2-yl)-5-methyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(furan-2-yl)-5-methyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(furan-2-yl)-5-methyl-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(-c2ccco2)oc1C.
What is the InChIKey of ethyl 2-(furan-2-yl)-5-methyl-1,3-oxazole-4-carboxylate?
The InChIKey is IUCRMKYAYKMXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-3-14-11(13)9-7(2)16-10(12-9)8-5-4-6-15-8/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 2-(furan-2-yl)-5-methyl-1,3-oxazole-4-carboxylate?
ethyl 2-(furan-2-yl)-5-methyl-1,3-oxazole-4-carboxylate has a molecular weight of 221.21 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(furan-2-yl)-5-methyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 86067764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).