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

C11H11NO4 — CID 2818509

IUPACethyl 5-(furan-2-yl)-3-methyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(C)noc1-c1ccco1
InChIInChI=1S/C11H11NO4/c1-3-14-11(13)9-7(2)12-16-10(9)8-5-4-6-15-8/h4-6H,3H2,1-2H3
InChIKeyIYYCWPLALONTLI-UHFFFAOYSA-N
MW221.21 g/mol
LogP2.42
Rot. Bonds3

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

ethyl 5-(furan-2-yl)-3-methyl-1,2-oxazole-4-carboxylate (PubChem CID 2818509) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is ethyl 5-(furan-2-yl)-3-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(furan-2-yl)-3-methyl-1,2-oxazole-4-carboxylate
PubChem CID2818509
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Nameethyl 5-(furan-2-yl)-3-methyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(C)noc1-c1ccco1
InChIInChI=1S/C11H11NO4/c1-3-14-11(13)9-7(2)12-16-10(9)8-5-4-6-15-8/h4-6H,3H2,1-2H3
InChIKeyIYYCWPLALONTLI-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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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(furan-2-yl)-3-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(furan-2-yl)-3-methyl-1,2-oxazole-4-carboxylate (CID 2818509) is ethyl 5-(furan-2-yl)-3-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(furan-2-yl)-3-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(furan-2-yl)-3-methyl-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(C)noc1-c1ccco1.
What is the InChIKey of ethyl 5-(furan-2-yl)-3-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is IYYCWPLALONTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-3-14-11(13)9-7(2)12-16-10(9)8-5-4-6-15-8/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 5-(furan-2-yl)-3-methyl-1,2-oxazole-4-carboxylate?
ethyl 5-(furan-2-yl)-3-methyl-1,2-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 5-(furan-2-yl)-3-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 2818509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).