4-[2-(4-chlorophenoxy)ethyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole

C17H14ClF2NO2 — CID 19041170

IUPAC4-[2-(4-chlorophenoxy)ethyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(CCOc2ccc(Cl)cc2)CO1
InChIInChI=1S/C17H14ClF2NO2/c18-11-4-6-13(7-5-11)22-9-8-12-10-23-17(21-12)16-14(19)2-1-3-15(16)20/h1-7,12H,8-10H2
InChIKeyZGLFAPFNRCHWED-UHFFFAOYSA-N
MW337.75 g/mol
LogP4.23
Rot. Bonds5

About 4-[2-(4-chlorophenoxy)ethyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole

4-[2-(4-chlorophenoxy)ethyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 19041170) has the molecular formula C17H14ClF2NO2 and a molecular weight of 337.75 g/mol. Its IUPAC name is 4-[2-(4-chlorophenoxy)ethyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-[2-(4-chlorophenoxy)ethyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
PubChem CID19041170
Molecular FormulaC17H14ClF2NO2
Molecular Weight337.75 g/mol
Exact Mass337.07
IUPAC Name4-[2-(4-chlorophenoxy)ethyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(CCOc2ccc(Cl)cc2)CO1
InChIInChI=1S/C17H14ClF2NO2/c18-11-4-6-13(7-5-11)22-9-8-12-10-23-17(21-12)16-14(19)2-1-3-15(16)20/h1-7,12H,8-10H2
InChIKeyZGLFAPFNRCHWED-UHFFFAOYSA-N
XLogP4.23
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.75
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenoxy)ethyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-[2-(4-chlorophenoxy)ethyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (CID 19041170) is 4-[2-(4-chlorophenoxy)ethyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-[2-(4-chlorophenoxy)ethyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-[2-(4-chlorophenoxy)ethyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is Fc1cccc(F)c1C1=NC(CCOc2ccc(Cl)cc2)CO1.
What is the InChIKey of 4-[2-(4-chlorophenoxy)ethyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is ZGLFAPFNRCHWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2NO2/c18-11-4-6-13(7-5-11)22-9-8-12-10-23-17(21-12)16-14(19)2-1-3-15(16)20/h1-7,12H,8-10H2.
What are the key properties of 4-[2-(4-chlorophenoxy)ethyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
4-[2-(4-chlorophenoxy)ethyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 337.75 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenoxy)ethyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 19041170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).