1-[2-(2-fluorophenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]butan-1-one

C16H13FN2O2 — CID 19990493

IUPAC1-[2-(2-fluorophenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]butan-1-one
SMILESCCCC(=O)c1cnc2oc(-c3ccccc3F)nc2c1
InChIInChI=1S/C16H13FN2O2/c1-2-5-14(20)10-8-13-16(18-9-10)21-15(19-13)11-6-3-4-7-12(11)17/h3-4,6-9H,2,5H2,1H3
InChIKeyWPGYEZQMLCREKK-UHFFFAOYSA-N
MW284.29 g/mol
LogP4.01
Rot. Bonds4

About 1-[2-(2-fluorophenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]butan-1-one

1-[2-(2-fluorophenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]butan-1-one (PubChem CID 19990493) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]butan-1-one.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]butan-1-one
PubChem CID19990493
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name1-[2-(2-fluorophenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]butan-1-one
SMILESCCCC(=O)c1cnc2oc(-c3ccccc3F)nc2c1
InChIInChI=1S/C16H13FN2O2/c1-2-5-14(20)10-8-13-16(18-9-10)21-15(19-13)11-6-3-4-7-12(11)17/h3-4,6-9H,2,5H2,1H3
InChIKeyWPGYEZQMLCREKK-UHFFFAOYSA-N
XLogP4.01
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]butan-1-one?
The IUPAC name of 1-[2-(2-fluorophenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]butan-1-one (CID 19990493) is 1-[2-(2-fluorophenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]butan-1-one.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]butan-1-one?
The canonical SMILES for 1-[2-(2-fluorophenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]butan-1-one is CCCC(=O)c1cnc2oc(-c3ccccc3F)nc2c1.
What is the InChIKey of 1-[2-(2-fluorophenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]butan-1-one?
The InChIKey is WPGYEZQMLCREKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-2-5-14(20)10-8-13-16(18-9-10)21-15(19-13)11-6-3-4-7-12(11)17/h3-4,6-9H,2,5H2,1H3.
What are the key properties of 1-[2-(2-fluorophenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]butan-1-one?
1-[2-(2-fluorophenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]butan-1-one has a molecular weight of 284.29 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]butan-1-one is sourced from PubChem (CID 19990493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).