5-(4,5-difluoro-2-pyridinyl)-3-methyl-1,2-oxazole

C9H6F2N2O — CID 67502745

IUPAC5-(4,5-difluoro-2-pyridinyl)-3-methyl-1,2-oxazole
SMILESCc1cc(-c2cc(F)c(F)cn2)on1
InChIInChI=1S/C9H6F2N2O/c1-5-2-9(14-13-5)8-3-6(10)7(11)4-12-8/h2-4H,1H3
InChIKeyGCSJWAMRSHCKGM-UHFFFAOYSA-N
MW196.16 g/mol
LogP2.32
Rot. Bonds1

About 5-(4,5-difluoro-2-pyridinyl)-3-methyl-1,2-oxazole

5-(4,5-difluoro-2-pyridinyl)-3-methyl-1,2-oxazole (PubChem CID 67502745) has the molecular formula C9H6F2N2O and a molecular weight of 196.16 g/mol. Its IUPAC name is 5-(4,5-difluoro-2-pyridinyl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(4,5-difluoro-2-pyridinyl)-3-methyl-1,2-oxazole
PubChem CID67502745
Molecular FormulaC9H6F2N2O
Molecular Weight196.16 g/mol
Exact Mass196.04
IUPAC Name5-(4,5-difluoro-2-pyridinyl)-3-methyl-1,2-oxazole
SMILESCc1cc(-c2cc(F)c(F)cn2)on1
InChIInChI=1S/C9H6F2N2O/c1-5-2-9(14-13-5)8-3-6(10)7(11)4-12-8/h2-4H,1H3
InChIKeyGCSJWAMRSHCKGM-UHFFFAOYSA-N
XLogP2.32
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(4,5-difluoro-2-pyridinyl)-3-methyl-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-(4,5-difluoro-2-pyridinyl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(4,5-difluoro-2-pyridinyl)-3-methyl-1,2-oxazole (CID 67502745) is 5-(4,5-difluoro-2-pyridinyl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(4,5-difluoro-2-pyridinyl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(4,5-difluoro-2-pyridinyl)-3-methyl-1,2-oxazole is Cc1cc(-c2cc(F)c(F)cn2)on1.
What is the InChIKey of 5-(4,5-difluoro-2-pyridinyl)-3-methyl-1,2-oxazole?
The InChIKey is GCSJWAMRSHCKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O/c1-5-2-9(14-13-5)8-3-6(10)7(11)4-12-8/h2-4H,1H3.
What are the key properties of 5-(4,5-difluoro-2-pyridinyl)-3-methyl-1,2-oxazole?
5-(4,5-difluoro-2-pyridinyl)-3-methyl-1,2-oxazole has a molecular weight of 196.16 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-difluoro-2-pyridinyl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 67502745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).