2-(3-bromo-5-fluoro-2-pyridinyl)-4-methyl-4,5-dihydro-1,3-oxazole

C9H8BrFN2O — CID 155453625

IUPAC2-(3-bromo-5-fluoro-2-pyridinyl)-4-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1COC(c2ncc(F)cc2Br)=N1
InChIInChI=1S/C9H8BrFN2O/c1-5-4-14-9(13-5)8-7(10)2-6(11)3-12-8/h2-3,5H,4H2,1H3
InChIKeyTXBCYUFSQVWUED-UHFFFAOYSA-N
MW259.08 g/mol
LogP2.15
Rot. Bonds1

About 2-(3-bromo-5-fluoro-2-pyridinyl)-4-methyl-4,5-dihydro-1,3-oxazole

2-(3-bromo-5-fluoro-2-pyridinyl)-4-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 155453625) has the molecular formula C9H8BrFN2O and a molecular weight of 259.08 g/mol. Its IUPAC name is 2-(3-bromo-5-fluoro-2-pyridinyl)-4-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(3-bromo-5-fluoro-2-pyridinyl)-4-methyl-4,5-dihydro-1,3-oxazole
PubChem CID155453625
Molecular FormulaC9H8BrFN2O
Molecular Weight259.08 g/mol
Exact Mass257.98
IUPAC Name2-(3-bromo-5-fluoro-2-pyridinyl)-4-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1COC(c2ncc(F)cc2Br)=N1
InChIInChI=1S/C9H8BrFN2O/c1-5-4-14-9(13-5)8-7(10)2-6(11)3-12-8/h2-3,5H,4H2,1H3
InChIKeyTXBCYUFSQVWUED-UHFFFAOYSA-N
XLogP2.15
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.08
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluoro-2-pyridinyl)-4-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(3-bromo-5-fluoro-2-pyridinyl)-4-methyl-4,5-dihydro-1,3-oxazole (CID 155453625) is 2-(3-bromo-5-fluoro-2-pyridinyl)-4-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(3-bromo-5-fluoro-2-pyridinyl)-4-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(3-bromo-5-fluoro-2-pyridinyl)-4-methyl-4,5-dihydro-1,3-oxazole is CC1COC(c2ncc(F)cc2Br)=N1.
What is the InChIKey of 2-(3-bromo-5-fluoro-2-pyridinyl)-4-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is TXBCYUFSQVWUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN2O/c1-5-4-14-9(13-5)8-7(10)2-6(11)3-12-8/h2-3,5H,4H2,1H3.
What are the key properties of 2-(3-bromo-5-fluoro-2-pyridinyl)-4-methyl-4,5-dihydro-1,3-oxazole?
2-(3-bromo-5-fluoro-2-pyridinyl)-4-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 259.08 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluoro-2-pyridinyl)-4-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 155453625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).