(4R,5R)-2-ethoxy-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole

C12H15NO2 — CID 166441563

IUPAC(4R,5R)-2-ethoxy-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESCCOC1=N[C@H](C)[C@@H](c2ccccc2)O1
InChIInChI=1S/C12H15NO2/c1-3-14-12-13-9(2)11(15-12)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3/t9-,11+/m1/s1
InChIKeyXQPMBJKYAQFBJZ-KOLCDFICSA-N
MW205.26 g/mol
LogP2.54
Rot. Bonds2

About (4R,5R)-2-ethoxy-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole

(4R,5R)-2-ethoxy-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 166441563) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (4R,5R)-2-ethoxy-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R,5R)-2-ethoxy-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID166441563
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(4R,5R)-2-ethoxy-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESCCOC1=N[C@H](C)[C@@H](c2ccccc2)O1
InChIInChI=1S/C12H15NO2/c1-3-14-12-13-9(2)11(15-12)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3/t9-,11+/m1/s1
InChIKeyXQPMBJKYAQFBJZ-KOLCDFICSA-N
XLogP2.54
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-ethoxy-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R,5R)-2-ethoxy-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole (CID 166441563) is (4R,5R)-2-ethoxy-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R,5R)-2-ethoxy-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R,5R)-2-ethoxy-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole is CCOC1=N[C@H](C)[C@@H](c2ccccc2)O1.
What is the InChIKey of (4R,5R)-2-ethoxy-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is XQPMBJKYAQFBJZ-KOLCDFICSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-14-12-13-9(2)11(15-12)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3/t9-,11+/m1/s1.
What are the key properties of (4R,5R)-2-ethoxy-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole?
(4R,5R)-2-ethoxy-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 205.26 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-ethoxy-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 166441563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).