2-[1-(4-fluorophenyl)-5-methylimidazol-4-yl]-[1,3]oxazolo[4,5-b]pyridine

C16H11FN4O — CID 58067343

IUPAC2-[1-(4-fluorophenyl)-5-methylimidazol-4-yl]-[1,3]oxazolo[4,5-b]pyridine
SMILESCc1c(-c2nc3ncccc3o2)ncn1-c1ccc(F)cc1
InChIInChI=1S/C16H11FN4O/c1-10-14(16-20-15-13(22-16)3-2-8-18-15)19-9-21(10)12-6-4-11(17)5-7-12/h2-9H,1H3
InChIKeyKSJXPPZZJPPASZ-UHFFFAOYSA-N
MW294.29 g/mol
LogP3.52
Rot. Bonds2

About 2-[1-(4-fluorophenyl)-5-methylimidazol-4-yl]-[1,3]oxazolo[4,5-b]pyridine

2-[1-(4-fluorophenyl)-5-methylimidazol-4-yl]-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 58067343) has the molecular formula C16H11FN4O and a molecular weight of 294.29 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-5-methylimidazol-4-yl]-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-5-methylimidazol-4-yl]-[1,3]oxazolo[4,5-b]pyridine
PubChem CID58067343
Molecular FormulaC16H11FN4O
Molecular Weight294.29 g/mol
Exact Mass294.09
IUPAC Name2-[1-(4-fluorophenyl)-5-methylimidazol-4-yl]-[1,3]oxazolo[4,5-b]pyridine
SMILESCc1c(-c2nc3ncccc3o2)ncn1-c1ccc(F)cc1
InChIInChI=1S/C16H11FN4O/c1-10-14(16-20-15-13(22-16)3-2-8-18-15)19-9-21(10)12-6-4-11(17)5-7-12/h2-9H,1H3
InChIKeyKSJXPPZZJPPASZ-UHFFFAOYSA-N
XLogP3.52
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-5-methylimidazol-4-yl]-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-[1-(4-fluorophenyl)-5-methylimidazol-4-yl]-[1,3]oxazolo[4,5-b]pyridine (CID 58067343) is 2-[1-(4-fluorophenyl)-5-methylimidazol-4-yl]-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-5-methylimidazol-4-yl]-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-[1-(4-fluorophenyl)-5-methylimidazol-4-yl]-[1,3]oxazolo[4,5-b]pyridine is Cc1c(-c2nc3ncccc3o2)ncn1-c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)-5-methylimidazol-4-yl]-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is KSJXPPZZJPPASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O/c1-10-14(16-20-15-13(22-16)3-2-8-18-15)19-9-21(10)12-6-4-11(17)5-7-12/h2-9H,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)-5-methylimidazol-4-yl]-[1,3]oxazolo[4,5-b]pyridine?
2-[1-(4-fluorophenyl)-5-methylimidazol-4-yl]-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 294.29 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-5-methylimidazol-4-yl]-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 58067343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).