ethyl (4R,5R)-2-(2-hydroxy-5-methoxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate

C14H17NO5 — CID 162664260

IUPACethyl (4R,5R)-2-(2-hydroxy-5-methoxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)[C@@H]1N=C(c2cc(OC)ccc2O)O[C@@H]1C
InChIInChI=1S/C14H17NO5/c1-4-19-14(17)12-8(2)20-13(15-12)10-7-9(18-3)5-6-11(10)16/h5-8,12,16H,4H2,1-3H3/t8-,12-/m1/s1
InChIKeyFYFFYZUKURKUDJ-PRHODGIISA-N
MW279.29 g/mol
LogP1.50
Rot. Bonds4

About ethyl (4R,5R)-2-(2-hydroxy-5-methoxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate

ethyl (4R,5R)-2-(2-hydroxy-5-methoxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 162664260) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is ethyl (4R,5R)-2-(2-hydroxy-5-methoxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl (4R,5R)-2-(2-hydroxy-5-methoxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID162664260
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Nameethyl (4R,5R)-2-(2-hydroxy-5-methoxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)[C@@H]1N=C(c2cc(OC)ccc2O)O[C@@H]1C
InChIInChI=1S/C14H17NO5/c1-4-19-14(17)12-8(2)20-13(15-12)10-7-9(18-3)5-6-11(10)16/h5-8,12,16H,4H2,1-3H3/t8-,12-/m1/s1
InChIKeyFYFFYZUKURKUDJ-PRHODGIISA-N
XLogP1.50
TPSA77.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl (4R,5R)-2-(2-hydroxy-5-methoxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl (4R,5R)-2-(2-hydroxy-5-methoxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 162664260) is ethyl (4R,5R)-2-(2-hydroxy-5-methoxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl (4R,5R)-2-(2-hydroxy-5-methoxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl (4R,5R)-2-(2-hydroxy-5-methoxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate is CCOC(=O)[C@@H]1N=C(c2cc(OC)ccc2O)O[C@@H]1C.
What is the InChIKey of ethyl (4R,5R)-2-(2-hydroxy-5-methoxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is FYFFYZUKURKUDJ-PRHODGIISA-N. The full InChI is InChI=1S/C14H17NO5/c1-4-19-14(17)12-8(2)20-13(15-12)10-7-9(18-3)5-6-11(10)16/h5-8,12,16H,4H2,1-3H3/t8-,12-/m1/s1.
What are the key properties of ethyl (4R,5R)-2-(2-hydroxy-5-methoxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
ethyl (4R,5R)-2-(2-hydroxy-5-methoxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 279.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R,5R)-2-(2-hydroxy-5-methoxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 162664260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).