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

C9H7F2NO — CID 102025465

IUPAC2-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1ccc(F)c(C2=NCCO2)c1
InChIInChI=1S/C9H7F2NO/c10-6-1-2-8(11)7(5-6)9-12-3-4-13-9/h1-2,5H,3-4H2
InChIKeyXGUIOJITUUALEJ-UHFFFAOYSA-N
MW183.16 g/mol
LogP1.74
Rot. Bonds1

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

2-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 102025465) has the molecular formula C9H7F2NO and a molecular weight of 183.16 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazole
PubChem CID102025465
Molecular FormulaC9H7F2NO
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name2-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1ccc(F)c(C2=NCCO2)c1
InChIInChI=1S/C9H7F2NO/c10-6-1-2-8(11)7(5-6)9-12-3-4-13-9/h1-2,5H,3-4H2
InChIKeyXGUIOJITUUALEJ-UHFFFAOYSA-N
XLogP1.74
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazole (CID 102025465) is 2-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazole is Fc1ccc(F)c(C2=NCCO2)c1.
What is the InChIKey of 2-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is XGUIOJITUUALEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO/c10-6-1-2-8(11)7(5-6)9-12-3-4-13-9/h1-2,5H,3-4H2.
What are the key properties of 2-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazole?
2-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 183.16 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 102025465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).