3-cyclopropyl-6-[(3-fluoro-4-methylphenyl)methoxy]-[1,2]oxazolo[5,4-b]pyridine

C17H15FN2O2 — CID 129316299

IUPAC3-cyclopropyl-6-[(3-fluoro-4-methylphenyl)methoxy]-[1,2]oxazolo[5,4-b]pyridine
SMILESCc1ccc(COc2ccc3c(C4CC4)noc3n2)cc1F
InChIInChI=1S/C17H15FN2O2/c1-10-2-3-11(8-14(10)18)9-21-15-7-6-13-16(12-4-5-12)20-22-17(13)19-15/h2-3,6-8,12H,4-5,9H2,1H3
InChIKeyAOMJORUYVBENMJ-UHFFFAOYSA-N
MW298.32 g/mol
LogP4.13
Rot. Bonds4

About 3-cyclopropyl-6-[(3-fluoro-4-methylphenyl)methoxy]-[1,2]oxazolo[5,4-b]pyridine

3-cyclopropyl-6-[(3-fluoro-4-methylphenyl)methoxy]-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 129316299) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-cyclopropyl-6-[(3-fluoro-4-methylphenyl)methoxy]-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-6-[(3-fluoro-4-methylphenyl)methoxy]-[1,2]oxazolo[5,4-b]pyridine
PubChem CID129316299
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name3-cyclopropyl-6-[(3-fluoro-4-methylphenyl)methoxy]-[1,2]oxazolo[5,4-b]pyridine
SMILESCc1ccc(COc2ccc3c(C4CC4)noc3n2)cc1F
InChIInChI=1S/C17H15FN2O2/c1-10-2-3-11(8-14(10)18)9-21-15-7-6-13-16(12-4-5-12)20-22-17(13)19-15/h2-3,6-8,12H,4-5,9H2,1H3
InChIKeyAOMJORUYVBENMJ-UHFFFAOYSA-N
XLogP4.13
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[(3-fluoro-4-methylphenyl)methoxy]-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 3-cyclopropyl-6-[(3-fluoro-4-methylphenyl)methoxy]-[1,2]oxazolo[5,4-b]pyridine (CID 129316299) is 3-cyclopropyl-6-[(3-fluoro-4-methylphenyl)methoxy]-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 3-cyclopropyl-6-[(3-fluoro-4-methylphenyl)methoxy]-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 3-cyclopropyl-6-[(3-fluoro-4-methylphenyl)methoxy]-[1,2]oxazolo[5,4-b]pyridine is Cc1ccc(COc2ccc3c(C4CC4)noc3n2)cc1F.
What is the InChIKey of 3-cyclopropyl-6-[(3-fluoro-4-methylphenyl)methoxy]-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is AOMJORUYVBENMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-10-2-3-11(8-14(10)18)9-21-15-7-6-13-16(12-4-5-12)20-22-17(13)19-15/h2-3,6-8,12H,4-5,9H2,1H3.
What are the key properties of 3-cyclopropyl-6-[(3-fluoro-4-methylphenyl)methoxy]-[1,2]oxazolo[5,4-b]pyridine?
3-cyclopropyl-6-[(3-fluoro-4-methylphenyl)methoxy]-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 298.32 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[(3-fluoro-4-methylphenyl)methoxy]-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 129316299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).