2-[1-(2-phenylphenoxy)ethyl]-4,5-dihydro-1,3-oxazole

C17H17NO2 — CID 11448533

IUPAC2-[1-(2-phenylphenoxy)ethyl]-4,5-dihydro-1,3-oxazole
SMILESCC(Oc1ccccc1-c1ccccc1)C1=NCCO1
InChIInChI=1S/C17H17NO2/c1-13(17-18-11-12-19-17)20-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3
InChIKeyLMLZJQGDSZOQMG-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.55
Rot. Bonds4

About 2-[1-(2-phenylphenoxy)ethyl]-4,5-dihydro-1,3-oxazole

2-[1-(2-phenylphenoxy)ethyl]-4,5-dihydro-1,3-oxazole (PubChem CID 11448533) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[1-(2-phenylphenoxy)ethyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(2-phenylphenoxy)ethyl]-4,5-dihydro-1,3-oxazole
PubChem CID11448533
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-[1-(2-phenylphenoxy)ethyl]-4,5-dihydro-1,3-oxazole
SMILESCC(Oc1ccccc1-c1ccccc1)C1=NCCO1
InChIInChI=1S/C17H17NO2/c1-13(17-18-11-12-19-17)20-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3
InChIKeyLMLZJQGDSZOQMG-UHFFFAOYSA-N
XLogP3.55
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-phenylphenoxy)ethyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[1-(2-phenylphenoxy)ethyl]-4,5-dihydro-1,3-oxazole (CID 11448533) is 2-[1-(2-phenylphenoxy)ethyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[1-(2-phenylphenoxy)ethyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[1-(2-phenylphenoxy)ethyl]-4,5-dihydro-1,3-oxazole is CC(Oc1ccccc1-c1ccccc1)C1=NCCO1.
What is the InChIKey of 2-[1-(2-phenylphenoxy)ethyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is LMLZJQGDSZOQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-13(17-18-11-12-19-17)20-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3.
What are the key properties of 2-[1-(2-phenylphenoxy)ethyl]-4,5-dihydro-1,3-oxazole?
2-[1-(2-phenylphenoxy)ethyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 267.33 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-phenylphenoxy)ethyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11448533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).