5-(6-chloro-4-fluoro-3-pyridinyl)-3-propan-2-yl-1,2-oxazole

C11H10ClFN2O — CID 167426157

IUPAC5-(6-chloro-4-fluoro-3-pyridinyl)-3-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc(-c2cnc(Cl)cc2F)on1
InChIInChI=1S/C11H10ClFN2O/c1-6(2)9-4-10(16-15-9)7-5-14-11(12)3-8(7)13/h3-6H,1-2H3
InChIKeyHSQMNBSFAWFTMH-UHFFFAOYSA-N
MW240.66 g/mol
LogP3.65
Rot. Bonds2

About 5-(6-chloro-4-fluoro-3-pyridinyl)-3-propan-2-yl-1,2-oxazole

5-(6-chloro-4-fluoro-3-pyridinyl)-3-propan-2-yl-1,2-oxazole (PubChem CID 167426157) has the molecular formula C11H10ClFN2O and a molecular weight of 240.66 g/mol. Its IUPAC name is 5-(6-chloro-4-fluoro-3-pyridinyl)-3-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name5-(6-chloro-4-fluoro-3-pyridinyl)-3-propan-2-yl-1,2-oxazole
PubChem CID167426157
Molecular FormulaC11H10ClFN2O
Molecular Weight240.66 g/mol
Exact Mass240.05
IUPAC Name5-(6-chloro-4-fluoro-3-pyridinyl)-3-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc(-c2cnc(Cl)cc2F)on1
InChIInChI=1S/C11H10ClFN2O/c1-6(2)9-4-10(16-15-9)7-5-14-11(12)3-8(7)13/h3-6H,1-2H3
InChIKeyHSQMNBSFAWFTMH-UHFFFAOYSA-N
XLogP3.65
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.66
LogP ≤ 53.65
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

5-(5-fluoro-2-propan-2-ylphenyl)-3-propan-2-yl-1,2-oxazole
CID 138571044
5-(3,4-dichlorophenyl)-3-propan-2-yl-1,2-oxazole
CID 71198283
5-bromo-3-(3-propan-2-yl-1,2-oxazol-5-yl)pyridin-2-amine
CID 118469993
2-[2-(6-chloro-4-fluoro-3-pyridinyl)-5-fluoro-4-pyridinyl]propan-2-ol
CID 167426361
2-chloro-4-fluoro-5-[5-(2-fluoropropan-2-yl)-2-pyridinyl]pyridine
CID 167426394
2-(bromomethyl)-5-(6-chloro-4-fluoro-3-pyridinyl)-1,3,4-thiadiazole
CID 170305638
5-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-3-(difluoromethyl)-1,2-oxazole
CID 146976068
2-chloro-4-fluoro-5-(6-fluoro-4-methyl-2-pyridinyl)pyridine
CID 167426313
5-chloro-2-fluoro-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide
CID 60707770
3,5-di(propan-2-yl)-1,2-oxazole;methane
CID 160901645
3-chloro-5-propan-2-yl-1,2-oxazole
CID 58942651
2-chloro-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 53216799

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-4-fluoro-3-pyridinyl)-3-propan-2-yl-1,2-oxazole?
The IUPAC name of 5-(6-chloro-4-fluoro-3-pyridinyl)-3-propan-2-yl-1,2-oxazole (CID 167426157) is 5-(6-chloro-4-fluoro-3-pyridinyl)-3-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 5-(6-chloro-4-fluoro-3-pyridinyl)-3-propan-2-yl-1,2-oxazole?
The canonical SMILES for 5-(6-chloro-4-fluoro-3-pyridinyl)-3-propan-2-yl-1,2-oxazole is CC(C)c1cc(-c2cnc(Cl)cc2F)on1.
What is the InChIKey of 5-(6-chloro-4-fluoro-3-pyridinyl)-3-propan-2-yl-1,2-oxazole?
The InChIKey is HSQMNBSFAWFTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c1-6(2)9-4-10(16-15-9)7-5-14-11(12)3-8(7)13/h3-6H,1-2H3.
What are the key properties of 5-(6-chloro-4-fluoro-3-pyridinyl)-3-propan-2-yl-1,2-oxazole?
5-(6-chloro-4-fluoro-3-pyridinyl)-3-propan-2-yl-1,2-oxazole has a molecular weight of 240.66 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-4-fluoro-3-pyridinyl)-3-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 167426157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).