4,5-difluoro-2-(1,3-oxazol-2-yl)-1,3-oxazole

C6H2F2N2O2 — CID 19604481

IUPAC4,5-difluoro-2-(1,3-oxazol-2-yl)-1,3-oxazole
SMILESFc1nc(-c2ncco2)oc1F
InChIInChI=1S/C6H2F2N2O2/c7-3-4(8)12-6(10-3)5-9-1-2-11-5/h1-2H
InChIKeyHEGYHDGNOPRPAV-UHFFFAOYSA-N
MW172.09 g/mol
LogP1.61
Rot. Bonds1

About 4,5-difluoro-2-(1,3-oxazol-2-yl)-1,3-oxazole

4,5-difluoro-2-(1,3-oxazol-2-yl)-1,3-oxazole (PubChem CID 19604481) has the molecular formula C6H2F2N2O2 and a molecular weight of 172.09 g/mol. Its IUPAC name is 4,5-difluoro-2-(1,3-oxazol-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name4,5-difluoro-2-(1,3-oxazol-2-yl)-1,3-oxazole
PubChem CID19604481
Molecular FormulaC6H2F2N2O2
Molecular Weight172.09 g/mol
Exact Mass172.01
IUPAC Name4,5-difluoro-2-(1,3-oxazol-2-yl)-1,3-oxazole
SMILESFc1nc(-c2ncco2)oc1F
InChIInChI=1S/C6H2F2N2O2/c7-3-4(8)12-6(10-3)5-9-1-2-11-5/h1-2H
InChIKeyHEGYHDGNOPRPAV-UHFFFAOYSA-N
XLogP1.61
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.09
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-(1,3-oxazol-2-yl)-1,3-oxazole?
The IUPAC name of 4,5-difluoro-2-(1,3-oxazol-2-yl)-1,3-oxazole (CID 19604481) is 4,5-difluoro-2-(1,3-oxazol-2-yl)-1,3-oxazole.
What is the SMILES notation for 4,5-difluoro-2-(1,3-oxazol-2-yl)-1,3-oxazole?
The canonical SMILES for 4,5-difluoro-2-(1,3-oxazol-2-yl)-1,3-oxazole is Fc1nc(-c2ncco2)oc1F.
What is the InChIKey of 4,5-difluoro-2-(1,3-oxazol-2-yl)-1,3-oxazole?
The InChIKey is HEGYHDGNOPRPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F2N2O2/c7-3-4(8)12-6(10-3)5-9-1-2-11-5/h1-2H.
What are the key properties of 4,5-difluoro-2-(1,3-oxazol-2-yl)-1,3-oxazole?
4,5-difluoro-2-(1,3-oxazol-2-yl)-1,3-oxazole has a molecular weight of 172.09 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-(1,3-oxazol-2-yl)-1,3-oxazole is sourced from PubChem (CID 19604481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).