5-(4-fluorophenyl)-3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]-1,3,4-oxadiazol-2-one

C19H20FN3O3 — CID 55464297

IUPAC5-(4-fluorophenyl)-3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]-1,3,4-oxadiazol-2-one
SMILESCc1cccc(OCCN(C)Cn2nc(-c3ccc(F)cc3)oc2=O)c1
InChIInChI=1S/C19H20FN3O3/c1-14-4-3-5-17(12-14)25-11-10-22(2)13-23-19(24)26-18(21-23)15-6-8-16(20)9-7-15/h3-9,12H,10-11,13H2,1-2H3
InChIKeyAOUKXLVQHAYZOV-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.92
Rot. Bonds7

About 5-(4-fluorophenyl)-3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]-1,3,4-oxadiazol-2-one

5-(4-fluorophenyl)-3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]-1,3,4-oxadiazol-2-one (PubChem CID 55464297) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]-1,3,4-oxadiazol-2-one
PubChem CID55464297
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name5-(4-fluorophenyl)-3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]-1,3,4-oxadiazol-2-one
SMILESCc1cccc(OCCN(C)Cn2nc(-c3ccc(F)cc3)oc2=O)c1
InChIInChI=1S/C19H20FN3O3/c1-14-4-3-5-17(12-14)25-11-10-22(2)13-23-19(24)26-18(21-23)15-6-8-16(20)9-7-15/h3-9,12H,10-11,13H2,1-2H3
InChIKeyAOUKXLVQHAYZOV-UHFFFAOYSA-N
XLogP2.92
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]-1,3,4-oxadiazol-2-one (CID 55464297) is 5-(4-fluorophenyl)-3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]-1,3,4-oxadiazol-2-one is Cc1cccc(OCCN(C)Cn2nc(-c3ccc(F)cc3)oc2=O)c1.
What is the InChIKey of 5-(4-fluorophenyl)-3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]-1,3,4-oxadiazol-2-one?
The InChIKey is AOUKXLVQHAYZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-14-4-3-5-17(12-14)25-11-10-22(2)13-23-19(24)26-18(21-23)15-6-8-16(20)9-7-15/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]-1,3,4-oxadiazol-2-one?
5-(4-fluorophenyl)-3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]-1,3,4-oxadiazol-2-one has a molecular weight of 357.39 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 55464297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).