6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole

C12H12FN3O — CID 162760476

IUPAC6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole
SMILESCC1(C)Cn2nc(-c3ccc(F)cn3)cc2O1
InChIInChI=1S/C12H12FN3O/c1-12(2)7-16-11(17-12)5-10(15-16)9-4-3-8(13)6-14-9/h3-6H,7H2,1-2H3
InChIKeyCBBLAXGPINJQMR-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.26
Rot. Bonds1

About 6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole

6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole (PubChem CID 162760476) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole.

Molecular Properties

Compound Name6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole
PubChem CID162760476
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole
SMILESCC1(C)Cn2nc(-c3ccc(F)cn3)cc2O1
InChIInChI=1S/C12H12FN3O/c1-12(2)7-16-11(17-12)5-10(15-16)9-4-3-8(13)6-14-9/h3-6H,7H2,1-2H3
InChIKeyCBBLAXGPINJQMR-UHFFFAOYSA-N
XLogP2.26
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole?
The IUPAC name of 6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole (CID 162760476) is 6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole.
What is the SMILES notation for 6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole?
The canonical SMILES for 6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole is CC1(C)Cn2nc(-c3ccc(F)cn3)cc2O1.
What is the InChIKey of 6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole?
The InChIKey is CBBLAXGPINJQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-12(2)7-16-11(17-12)5-10(15-16)9-4-3-8(13)6-14-9/h3-6H,7H2,1-2H3.
What are the key properties of 6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole?
6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole has a molecular weight of 233.25 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole is sourced from PubChem (CID 162760476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).