3-(3-fluorophenyl)-5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C19H21FN4O2 — CID 56751412

IUPAC3-(3-fluorophenyl)-5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCC(C)Cc1nc(CN2CCc3onc(-c4cccc(F)c4)c3C2)no1
InChIInChI=1S/C19H21FN4O2/c1-12(2)8-18-21-17(22-26-18)11-24-7-6-16-15(10-24)19(23-25-16)13-4-3-5-14(20)9-13/h3-5,9,12H,6-8,10-11H2,1-2H3
InChIKeyWALVWSMUYDJREY-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.62
Rot. Bonds5

About 3-(3-fluorophenyl)-5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

3-(3-fluorophenyl)-5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 56751412) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID56751412
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name3-(3-fluorophenyl)-5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCC(C)Cc1nc(CN2CCc3onc(-c4cccc(F)c4)c3C2)no1
InChIInChI=1S/C19H21FN4O2/c1-12(2)8-18-21-17(22-26-18)11-24-7-6-16-15(10-24)19(23-25-16)13-4-3-5-14(20)9-13/h3-5,9,12H,6-8,10-11H2,1-2H3
InChIKeyWALVWSMUYDJREY-UHFFFAOYSA-N
XLogP3.62
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 3-(3-fluorophenyl)-5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 56751412) is 3-(3-fluorophenyl)-5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 3-(3-fluorophenyl)-5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 3-(3-fluorophenyl)-5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is CC(C)Cc1nc(CN2CCc3onc(-c4cccc(F)c4)c3C2)no1.
What is the InChIKey of 3-(3-fluorophenyl)-5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is WALVWSMUYDJREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-12(2)8-18-21-17(22-26-18)11-24-7-6-16-15(10-24)19(23-25-16)13-4-3-5-14(20)9-13/h3-5,9,12H,6-8,10-11H2,1-2H3.
What are the key properties of 3-(3-fluorophenyl)-5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
3-(3-fluorophenyl)-5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 356.40 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 56751412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).