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

C18H19FN4O2 — CID 56745399

IUPAC3-(3-fluorophenyl)-5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCC(C)c1nc(CN2CCc3onc(-c4cccc(F)c4)c3C2)no1
InChIInChI=1S/C18H19FN4O2/c1-11(2)18-20-16(21-25-18)10-23-7-6-15-14(9-23)17(22-24-15)12-4-3-5-13(19)8-12/h3-5,8,11H,6-7,9-10H2,1-2H3
InChIKeySYGFCYNDZZQEBV-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.55
Rot. Bonds4

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

3-(3-fluorophenyl)-5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 56745399) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-[(5-propan-2-yl-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-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID56745399
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name3-(3-fluorophenyl)-5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCC(C)c1nc(CN2CCc3onc(-c4cccc(F)c4)c3C2)no1
InChIInChI=1S/C18H19FN4O2/c1-11(2)18-20-16(21-25-18)10-23-7-6-15-14(9-23)17(22-24-15)12-4-3-5-13(19)8-12/h3-5,8,11H,6-7,9-10H2,1-2H3
InChIKeySYGFCYNDZZQEBV-UHFFFAOYSA-N
XLogP3.55
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-[(5-propan-2-yl-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-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 56745399) is 3-(3-fluorophenyl)-5-[(5-propan-2-yl-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-propan-2-yl-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-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is CC(C)c1nc(CN2CCc3onc(-c4cccc(F)c4)c3C2)no1.
What is the InChIKey of 3-(3-fluorophenyl)-5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is SYGFCYNDZZQEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-11(2)18-20-16(21-25-18)10-23-7-6-15-14(9-23)17(22-24-15)12-4-3-5-13(19)8-12/h3-5,8,11H,6-7,9-10H2,1-2H3.
What are the key properties of 3-(3-fluorophenyl)-5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
3-(3-fluorophenyl)-5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 342.37 g/mol, XLogP of 3.55, 4 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-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 56745399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).