ethyl 5-[3-(5-ethyl-2-hydroxy-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]furan-2-carboxylate

C20H21NO6 — CID 1403742

IUPACethyl 5-[3-(5-ethyl-2-hydroxy-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2c(-c3cc(CC)c(OC)cc3O)noc2C)o1
InChIInChI=1S/C20H21NO6/c1-5-12-9-13(14(22)10-17(12)24-4)19-18(11(3)27-21-19)15-7-8-16(26-15)20(23)25-6-2/h7-10,22H,5-6H2,1-4H3
InChIKeyHOZGDZNZMAUDRV-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.36
Rot. Bonds6

About ethyl 5-[3-(5-ethyl-2-hydroxy-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]furan-2-carboxylate

ethyl 5-[3-(5-ethyl-2-hydroxy-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]furan-2-carboxylate (PubChem CID 1403742) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is ethyl 5-[3-(5-ethyl-2-hydroxy-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[3-(5-ethyl-2-hydroxy-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]furan-2-carboxylate
PubChem CID1403742
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Nameethyl 5-[3-(5-ethyl-2-hydroxy-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2c(-c3cc(CC)c(OC)cc3O)noc2C)o1
InChIInChI=1S/C20H21NO6/c1-5-12-9-13(14(22)10-17(12)24-4)19-18(11(3)27-21-19)15-7-8-16(26-15)20(23)25-6-2/h7-10,22H,5-6H2,1-4H3
InChIKeyHOZGDZNZMAUDRV-UHFFFAOYSA-N
XLogP4.36
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-(5-ethyl-2-hydroxy-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[3-(5-ethyl-2-hydroxy-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]furan-2-carboxylate (CID 1403742) is ethyl 5-[3-(5-ethyl-2-hydroxy-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[3-(5-ethyl-2-hydroxy-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[3-(5-ethyl-2-hydroxy-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]furan-2-carboxylate is CCOC(=O)c1ccc(-c2c(-c3cc(CC)c(OC)cc3O)noc2C)o1.
What is the InChIKey of ethyl 5-[3-(5-ethyl-2-hydroxy-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]furan-2-carboxylate?
The InChIKey is HOZGDZNZMAUDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6/c1-5-12-9-13(14(22)10-17(12)24-4)19-18(11(3)27-21-19)15-7-8-16(26-15)20(23)25-6-2/h7-10,22H,5-6H2,1-4H3.
What are the key properties of ethyl 5-[3-(5-ethyl-2-hydroxy-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]furan-2-carboxylate?
ethyl 5-[3-(5-ethyl-2-hydroxy-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]furan-2-carboxylate has a molecular weight of 371.39 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-(5-ethyl-2-hydroxy-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]furan-2-carboxylate is sourced from PubChem (CID 1403742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).