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

C15H19NO4 — CID 58807302

IUPACmethyl (4R,5R)-4-ethyl-2-(4-methoxyphenyl)-5-methyl-5H-1,3-oxazole-4-carboxylate
SMILESCC[C@@]1(C(=O)OC)N=C(c2ccc(OC)cc2)O[C@@H]1C
InChIInChI=1S/C15H19NO4/c1-5-15(14(17)19-4)10(2)20-13(16-15)11-6-8-12(18-3)9-7-11/h6-10H,5H2,1-4H3/t10-,15-/m1/s1
InChIKeyZLFNGLBBOKYEJY-MEBBXXQBSA-N
MW277.32 g/mol
LogP2.18
Rot. Bonds4

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

methyl (4R,5R)-4-ethyl-2-(4-methoxyphenyl)-5-methyl-5H-1,3-oxazole-4-carboxylate (PubChem CID 58807302) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl (4R,5R)-4-ethyl-2-(4-methoxyphenyl)-5-methyl-5H-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R,5R)-4-ethyl-2-(4-methoxyphenyl)-5-methyl-5H-1,3-oxazole-4-carboxylate
PubChem CID58807302
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl (4R,5R)-4-ethyl-2-(4-methoxyphenyl)-5-methyl-5H-1,3-oxazole-4-carboxylate
SMILESCC[C@@]1(C(=O)OC)N=C(c2ccc(OC)cc2)O[C@@H]1C
InChIInChI=1S/C15H19NO4/c1-5-15(14(17)19-4)10(2)20-13(16-15)11-6-8-12(18-3)9-7-11/h6-10H,5H2,1-4H3/t10-,15-/m1/s1
InChIKeyZLFNGLBBOKYEJY-MEBBXXQBSA-N
XLogP2.18
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-Dihydro-2-(4-methoxyphenyl)-4,4-dimethyloxazole
CID 359337
2-(4-Methoxyphenyl)-2-oxazoline
CID 12333191
benzyl (4S)-2-(4-benzyloxy-3-fluoro-phenyl)-4,5-dihydrooxazole-4-carboxylate
CID 46201338
[2-(4-Methoxyphenyl)-4,5-dihydro-1,3-oxazole-4,4-diyl]dimethanol
CID 1511068
(S)-4-Isopropyl-2-(4-methoxyphenyl)-4,5-dihydrooxazole
CID 17756936
(S)-benzyl 2-(4-methoxyphenyl)-4,5-dihydrooxazole-4-carboxylate
CID 25010970
benzyl (4S)-2-(4-propoxyphenyl)-4,5-dihydrooxazole-4-carboxylate
CID 46201294
benzyl (4S)-2-(4-isopropoxyphenyl)-4,5-dihydrooxazole-4-carboxylate
CID 46201295
benzyl (4S)-2-(4-butoxyphenyl)-4,5-dihydrooxazole-4-carboxylate
CID 46201335
benzyl (4S)-2-(4-ethoxy-3-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 46889289
Oxazole, 4,5-dihydro-4,4-dimethyl-2-(2-(4-methoxyphenyl)-1-methylethenyl)-
CID 6445993
benzyl (4S)-2-(4-ethoxyphenyl)-4,5-dihydrooxazole-4-carboxylate
CID 46201179

Frequently Asked Questions

What is the IUPAC name of methyl (4R,5R)-4-ethyl-2-(4-methoxyphenyl)-5-methyl-5H-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl (4R,5R)-4-ethyl-2-(4-methoxyphenyl)-5-methyl-5H-1,3-oxazole-4-carboxylate (CID 58807302) is methyl (4R,5R)-4-ethyl-2-(4-methoxyphenyl)-5-methyl-5H-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl (4R,5R)-4-ethyl-2-(4-methoxyphenyl)-5-methyl-5H-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl (4R,5R)-4-ethyl-2-(4-methoxyphenyl)-5-methyl-5H-1,3-oxazole-4-carboxylate is CC[C@@]1(C(=O)OC)N=C(c2ccc(OC)cc2)O[C@@H]1C.
What is the InChIKey of methyl (4R,5R)-4-ethyl-2-(4-methoxyphenyl)-5-methyl-5H-1,3-oxazole-4-carboxylate?
The InChIKey is ZLFNGLBBOKYEJY-MEBBXXQBSA-N. The full InChI is InChI=1S/C15H19NO4/c1-5-15(14(17)19-4)10(2)20-13(16-15)11-6-8-12(18-3)9-7-11/h6-10H,5H2,1-4H3/t10-,15-/m1/s1.
What are the key properties of methyl (4R,5R)-4-ethyl-2-(4-methoxyphenyl)-5-methyl-5H-1,3-oxazole-4-carboxylate?
methyl (4R,5R)-4-ethyl-2-(4-methoxyphenyl)-5-methyl-5H-1,3-oxazole-4-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,5R)-4-ethyl-2-(4-methoxyphenyl)-5-methyl-5H-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 58807302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).