2-(2,6-difluorophenyl)-4-(2-naphthalen-2-yloxyethyl)-4,5-dihydro-1,3-oxazole

C21H17F2NO2 — CID 19041182

IUPAC2-(2,6-difluorophenyl)-4-(2-naphthalen-2-yloxyethyl)-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(CCOc2ccc3ccccc3c2)CO1
InChIInChI=1S/C21H17F2NO2/c22-18-6-3-7-19(23)20(18)21-24-16(13-26-21)10-11-25-17-9-8-14-4-1-2-5-15(14)12-17/h1-9,12,16H,10-11,13H2
InChIKeyHOFQNATYMUJCIT-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.73
Rot. Bonds5

About 2-(2,6-difluorophenyl)-4-(2-naphthalen-2-yloxyethyl)-4,5-dihydro-1,3-oxazole

2-(2,6-difluorophenyl)-4-(2-naphthalen-2-yloxyethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 19041182) has the molecular formula C21H17F2NO2 and a molecular weight of 353.37 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-(2-naphthalen-2-yloxyethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-(2-naphthalen-2-yloxyethyl)-4,5-dihydro-1,3-oxazole
PubChem CID19041182
Molecular FormulaC21H17F2NO2
Molecular Weight353.37 g/mol
Exact Mass353.12
IUPAC Name2-(2,6-difluorophenyl)-4-(2-naphthalen-2-yloxyethyl)-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(CCOc2ccc3ccccc3c2)CO1
InChIInChI=1S/C21H17F2NO2/c22-18-6-3-7-19(23)20(18)21-24-16(13-26-21)10-11-25-17-9-8-14-4-1-2-5-15(14)12-17/h1-9,12,16H,10-11,13H2
InChIKeyHOFQNATYMUJCIT-UHFFFAOYSA-N
XLogP4.73
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-(2-naphthalen-2-yloxyethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-(2-naphthalen-2-yloxyethyl)-4,5-dihydro-1,3-oxazole (CID 19041182) is 2-(2,6-difluorophenyl)-4-(2-naphthalen-2-yloxyethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-(2-naphthalen-2-yloxyethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-(2-naphthalen-2-yloxyethyl)-4,5-dihydro-1,3-oxazole is Fc1cccc(F)c1C1=NC(CCOc2ccc3ccccc3c2)CO1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-(2-naphthalen-2-yloxyethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is HOFQNATYMUJCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2NO2/c22-18-6-3-7-19(23)20(18)21-24-16(13-26-21)10-11-25-17-9-8-14-4-1-2-5-15(14)12-17/h1-9,12,16H,10-11,13H2.
What are the key properties of 2-(2,6-difluorophenyl)-4-(2-naphthalen-2-yloxyethyl)-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-4-(2-naphthalen-2-yloxyethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 353.37 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-(2-naphthalen-2-yloxyethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 19041182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).