4-(6-fluoro-3-pyridinyl)-2,5-dimethyl-1,3-oxazole

C10H9FN2O — CID 171101151

IUPAC4-(6-fluoro-3-pyridinyl)-2,5-dimethyl-1,3-oxazole
SMILESCc1nc(-c2ccc(F)nc2)c(C)o1
InChIInChI=1S/C10H9FN2O/c1-6-10(13-7(2)14-6)8-3-4-9(11)12-5-8/h3-5H,1-2H3
InChIKeyBSITWDIJIKOBPS-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.49
Rot. Bonds1

About 4-(6-fluoro-3-pyridinyl)-2,5-dimethyl-1,3-oxazole

4-(6-fluoro-3-pyridinyl)-2,5-dimethyl-1,3-oxazole (PubChem CID 171101151) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 4-(6-fluoro-3-pyridinyl)-2,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name4-(6-fluoro-3-pyridinyl)-2,5-dimethyl-1,3-oxazole
PubChem CID171101151
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name4-(6-fluoro-3-pyridinyl)-2,5-dimethyl-1,3-oxazole
SMILESCc1nc(-c2ccc(F)nc2)c(C)o1
InChIInChI=1S/C10H9FN2O/c1-6-10(13-7(2)14-6)8-3-4-9(11)12-5-8/h3-5H,1-2H3
InChIKeyBSITWDIJIKOBPS-UHFFFAOYSA-N
XLogP2.49
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.49
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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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-3-pyridinyl)-2,5-dimethyl-1,3-oxazole?
The IUPAC name of 4-(6-fluoro-3-pyridinyl)-2,5-dimethyl-1,3-oxazole (CID 171101151) is 4-(6-fluoro-3-pyridinyl)-2,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 4-(6-fluoro-3-pyridinyl)-2,5-dimethyl-1,3-oxazole?
The canonical SMILES for 4-(6-fluoro-3-pyridinyl)-2,5-dimethyl-1,3-oxazole is Cc1nc(-c2ccc(F)nc2)c(C)o1.
What is the InChIKey of 4-(6-fluoro-3-pyridinyl)-2,5-dimethyl-1,3-oxazole?
The InChIKey is BSITWDIJIKOBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-6-10(13-7(2)14-6)8-3-4-9(11)12-5-8/h3-5H,1-2H3.
What are the key properties of 4-(6-fluoro-3-pyridinyl)-2,5-dimethyl-1,3-oxazole?
4-(6-fluoro-3-pyridinyl)-2,5-dimethyl-1,3-oxazole has a molecular weight of 192.19 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-3-pyridinyl)-2,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 171101151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).