2-ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole

C13H17NO2 — CID 12755427

IUPAC2-ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESCCC1=NC(COC)C(c2ccccc2)O1
InChIInChI=1S/C13H17NO2/c1-3-12-14-11(9-15-2)13(16-12)10-7-5-4-6-8-10/h4-8,11,13H,3,9H2,1-2H3
InChIKeySTXRYURWTDYWHH-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.58
Rot. Bonds4

About 2-ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole

2-ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 12755427) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID12755427
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESCCC1=NC(COC)C(c2ccccc2)O1
InChIInChI=1S/C13H17NO2/c1-3-12-14-11(9-15-2)13(16-12)10-7-5-4-6-8-10/h4-8,11,13H,3,9H2,1-2H3
InChIKeySTXRYURWTDYWHH-UHFFFAOYSA-N
XLogP2.58
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole (CID 12755427) is 2-ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole is CCC1=NC(COC)C(c2ccccc2)O1.
What is the InChIKey of 2-ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is STXRYURWTDYWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-12-14-11(9-15-2)13(16-12)10-7-5-4-6-8-10/h4-8,11,13H,3,9H2,1-2H3.
What are the key properties of 2-ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole?
2-ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 219.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 12755427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).