4-[fluoro(pyridin-2-ylsulfonyl)methyl]-3,5-dimethyl-1,2-oxazole

C11H11FN2O3S — CID 135060807

IUPAC4-[fluoro(pyridin-2-ylsulfonyl)methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1C(F)S(=O)(=O)c1ccccn1
InChIInChI=1S/C11H11FN2O3S/c1-7-10(8(2)17-14-7)11(12)18(15,16)9-5-3-4-6-13-9/h3-6,11H,1-2H3
InChIKeyPUESRDUBEOKMNZ-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.13
Rot. Bonds3

About 4-[fluoro(pyridin-2-ylsulfonyl)methyl]-3,5-dimethyl-1,2-oxazole

4-[fluoro(pyridin-2-ylsulfonyl)methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 135060807) has the molecular formula C11H11FN2O3S and a molecular weight of 270.28 g/mol. Its IUPAC name is 4-[fluoro(pyridin-2-ylsulfonyl)methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[fluoro(pyridin-2-ylsulfonyl)methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID135060807
Molecular FormulaC11H11FN2O3S
Molecular Weight270.28 g/mol
Exact Mass270.05
IUPAC Name4-[fluoro(pyridin-2-ylsulfonyl)methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1C(F)S(=O)(=O)c1ccccn1
InChIInChI=1S/C11H11FN2O3S/c1-7-10(8(2)17-14-7)11(12)18(15,16)9-5-3-4-6-13-9/h3-6,11H,1-2H3
InChIKeyPUESRDUBEOKMNZ-UHFFFAOYSA-N
XLogP2.13
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[fluoro(pyridin-2-ylsulfonyl)methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[fluoro(pyridin-2-ylsulfonyl)methyl]-3,5-dimethyl-1,2-oxazole (CID 135060807) is 4-[fluoro(pyridin-2-ylsulfonyl)methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[fluoro(pyridin-2-ylsulfonyl)methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[fluoro(pyridin-2-ylsulfonyl)methyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1C(F)S(=O)(=O)c1ccccn1.
What is the InChIKey of 4-[fluoro(pyridin-2-ylsulfonyl)methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is PUESRDUBEOKMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3S/c1-7-10(8(2)17-14-7)11(12)18(15,16)9-5-3-4-6-13-9/h3-6,11H,1-2H3.
What are the key properties of 4-[fluoro(pyridin-2-ylsulfonyl)methyl]-3,5-dimethyl-1,2-oxazole?
4-[fluoro(pyridin-2-ylsulfonyl)methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 270.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[fluoro(pyridin-2-ylsulfonyl)methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 135060807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).