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

C12H15NO — CID 89325688

IUPAC(4S,5R)-4-ethyl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESCC[C@@H]1N=C(c2ccccc2)O[C@@H]1C
InChIInChI=1S/C12H15NO/c1-3-11-9(2)14-12(13-11)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3/t9-,11+/m1/s1
InChIKeyWEVMYXIXYOAASG-KOLCDFICSA-N
MW189.26 g/mol
LogP2.63
Rot. Bonds2

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

(4S,5R)-4-ethyl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 89325688) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (4S,5R)-4-ethyl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S,5R)-4-ethyl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID89325688
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(4S,5R)-4-ethyl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESCC[C@@H]1N=C(c2ccccc2)O[C@@H]1C
InChIInChI=1S/C12H15NO/c1-3-11-9(2)14-12(13-11)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3/t9-,11+/m1/s1
InChIKeyWEVMYXIXYOAASG-KOLCDFICSA-N
XLogP2.63
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-ethyl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S,5R)-4-ethyl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole (CID 89325688) is (4S,5R)-4-ethyl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S,5R)-4-ethyl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S,5R)-4-ethyl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole is CC[C@@H]1N=C(c2ccccc2)O[C@@H]1C.
What is the InChIKey of (4S,5R)-4-ethyl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is WEVMYXIXYOAASG-KOLCDFICSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-11-9(2)14-12(13-11)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3/t9-,11+/m1/s1.
What are the key properties of (4S,5R)-4-ethyl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole?
(4S,5R)-4-ethyl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 189.26 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-ethyl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 89325688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).