5-(5,6-difluoro-3-pyridinyl)-3-methyl-1,2-oxazole

C9H6F2N2O — CID 58015534

IUPAC5-(5,6-difluoro-3-pyridinyl)-3-methyl-1,2-oxazole
SMILESCc1cc(-c2cnc(F)c(F)c2)on1
InChIInChI=1S/C9H6F2N2O/c1-5-2-8(14-13-5)6-3-7(10)9(11)12-4-6/h2-4H,1H3
InChIKeyJILBJRGKNUEJEP-UHFFFAOYSA-N
MW196.16 g/mol
LogP2.32
Rot. Bonds1

About 5-(5,6-difluoro-3-pyridinyl)-3-methyl-1,2-oxazole

5-(5,6-difluoro-3-pyridinyl)-3-methyl-1,2-oxazole (PubChem CID 58015534) has the molecular formula C9H6F2N2O and a molecular weight of 196.16 g/mol. Its IUPAC name is 5-(5,6-difluoro-3-pyridinyl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(5,6-difluoro-3-pyridinyl)-3-methyl-1,2-oxazole
PubChem CID58015534
Molecular FormulaC9H6F2N2O
Molecular Weight196.16 g/mol
Exact Mass196.04
IUPAC Name5-(5,6-difluoro-3-pyridinyl)-3-methyl-1,2-oxazole
SMILESCc1cc(-c2cnc(F)c(F)c2)on1
InChIInChI=1S/C9H6F2N2O/c1-5-2-8(14-13-5)6-3-7(10)9(11)12-4-6/h2-4H,1H3
InChIKeyJILBJRGKNUEJEP-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[3-fluoro-5-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]hydrazine
CID 58015486
3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2-oxazole
CID 162383929
5-(2,5-difluorophenyl)-3-methyl-1,2-oxazole
CID 116868922
5-(2,4-difluorophenyl)-3-methyl-1,2-oxazole
CID 116868938
5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid
CID 118695317
5-(5-fluoro-2-methoxyphenyl)-3-methyl-1,2-oxazole
CID 116868898
3-methyl-5-(4-methylsulfonylphenyl)-1,2-oxazole
CID 116868966
5-[4-(4-chlorophenyl)pyrimidin-5-yl]-3-methyl-1,2-oxazole
CID 42643241
[5-(3-ethyl-1,2-oxazol-5-yl)-3-fluoro-2-pyridinyl]hydrazine
CID 142785356
5-(4-ethylsulfanylphenyl)-3-methyl-1,2-oxazole
CID 116868967
3-methyl-5-(2-phenylphenyl)-1,2-oxazole
CID 123870011
6-methylpyrazolo[3,4-e]oxazine
CID 162788939

Frequently Asked Questions

What is the IUPAC name of 5-(5,6-difluoro-3-pyridinyl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(5,6-difluoro-3-pyridinyl)-3-methyl-1,2-oxazole (CID 58015534) is 5-(5,6-difluoro-3-pyridinyl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(5,6-difluoro-3-pyridinyl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(5,6-difluoro-3-pyridinyl)-3-methyl-1,2-oxazole is Cc1cc(-c2cnc(F)c(F)c2)on1.
What is the InChIKey of 5-(5,6-difluoro-3-pyridinyl)-3-methyl-1,2-oxazole?
The InChIKey is JILBJRGKNUEJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O/c1-5-2-8(14-13-5)6-3-7(10)9(11)12-4-6/h2-4H,1H3.
What are the key properties of 5-(5,6-difluoro-3-pyridinyl)-3-methyl-1,2-oxazole?
5-(5,6-difluoro-3-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-(5,6-difluoro-3-pyridinyl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 58015534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).