5-(2,6-difluorophenyl)-2,5-dihydro-1,2-oxazole

C9H7F2NO — CID 91388658

IUPAC5-(2,6-difluorophenyl)-2,5-dihydro-1,2-oxazole
SMILESFc1cccc(F)c1C1C=CNO1
InChIInChI=1S/C9H7F2NO/c10-6-2-1-3-7(11)9(6)8-4-5-12-13-8/h1-5,8,12H
InChIKeyNIFDGNUVBNCYJO-UHFFFAOYSA-N
MW183.16 g/mol
LogP2.05
Rot. Bonds1

About 5-(2,6-difluorophenyl)-2,5-dihydro-1,2-oxazole

5-(2,6-difluorophenyl)-2,5-dihydro-1,2-oxazole (PubChem CID 91388658) has the molecular formula C9H7F2NO and a molecular weight of 183.16 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-2,5-dihydro-1,2-oxazole
PubChem CID91388658
Molecular FormulaC9H7F2NO
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name5-(2,6-difluorophenyl)-2,5-dihydro-1,2-oxazole
SMILESFc1cccc(F)c1C1C=CNO1
InChIInChI=1S/C9H7F2NO/c10-6-2-1-3-7(11)9(6)8-4-5-12-13-8/h1-5,8,12H
InChIKeyNIFDGNUVBNCYJO-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-Fluorophenyl)-4,5-dihydroisoxazole
CID 129838346
5-(2,3-difluorophenyl)-5-methyl-4-phenyl-2H-1,2-oxazole
CID 67695503
5-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 70500731
N-[(4-fluorophenyl)methoxy]methanamine
CID 72536880
N-[(3-fluorophenyl)methoxy]methanamine
CID 89230498
N-[(2-fluorophenyl)methoxy]methanamine
CID 89230704
N-[(3,4-difluorophenyl)methoxy]methanamine
CID 89230705
3-Bromo-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 90787551
N-[(4-fluorophenyl)methoxy]ethenamine
CID 90936944
5-[2-(Trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole
CID 90940162
5-[3-(Trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole
CID 90942771
5-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 90958648

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(2,6-difluorophenyl)-2,5-dihydro-1,2-oxazole (CID 91388658) is 5-(2,6-difluorophenyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(2,6-difluorophenyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(2,6-difluorophenyl)-2,5-dihydro-1,2-oxazole is Fc1cccc(F)c1C1C=CNO1.
What is the InChIKey of 5-(2,6-difluorophenyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is NIFDGNUVBNCYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO/c10-6-2-1-3-7(11)9(6)8-4-5-12-13-8/h1-5,8,12H.
What are the key properties of 5-(2,6-difluorophenyl)-2,5-dihydro-1,2-oxazole?
5-(2,6-difluorophenyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 183.16 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 91388658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).