5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole

C12H7F9N2O — CID 91697524

IUPAC5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CC(c2cccnc2)=NO1
InChIInChI=1S/C12H7F9N2O/c13-9(14,10(15,16)11(17,18)12(19,20)21)8-4-7(23-24-8)6-2-1-3-22-5-6/h1-3,5,8H,4H2
InChIKeyOZLWLVIWQOAGCB-UHFFFAOYSA-N
MW366.18 g/mol
LogP4.04
Rot. Bonds4

About 5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole

5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole (PubChem CID 91697524) has the molecular formula C12H7F9N2O and a molecular weight of 366.18 g/mol. Its IUPAC name is 5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole
PubChem CID91697524
Molecular FormulaC12H7F9N2O
Molecular Weight366.18 g/mol
Exact Mass366.04
IUPAC Name5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CC(c2cccnc2)=NO1
InChIInChI=1S/C12H7F9N2O/c13-9(14,10(15,16)11(17,18)12(19,20)21)8-4-7(23-24-8)6-2-1-3-22-5-6/h1-3,5,8H,4H2
InChIKeyOZLWLVIWQOAGCB-UHFFFAOYSA-N
XLogP4.04
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.18
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole (CID 91697524) is 5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CC(c2cccnc2)=NO1.
What is the InChIKey of 5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole?
The InChIKey is OZLWLVIWQOAGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F9N2O/c13-9(14,10(15,16)11(17,18)12(19,20)21)8-4-7(23-24-8)6-2-1-3-22-5-6/h1-3,5,8H,4H2.
What are the key properties of 5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole?
5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole has a molecular weight of 366.18 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 91697524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).