[(3-fluorophenyl)-pyridin-2-ylmethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate

C23H18FN3O4 — CID 56528338

IUPAC[(3-fluorophenyl)-pyridin-2-ylmethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
SMILESCc1nc(COc2ccc(C(=O)OC(c3cccc(F)c3)c3ccccn3)cc2)no1
InChIInChI=1S/C23H18FN3O4/c1-15-26-21(27-31-15)14-29-19-10-8-16(9-11-19)23(28)30-22(20-7-2-3-12-25-20)17-5-4-6-18(24)13-17/h2-13,22H,14H2,1H3
InChIKeyPJYVQUOYGWNARL-UHFFFAOYSA-N
MW419.41 g/mol
LogP4.44
Rot. Bonds7

About [(3-fluorophenyl)-pyridin-2-ylmethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate

[(3-fluorophenyl)-pyridin-2-ylmethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate (PubChem CID 56528338) has the molecular formula C23H18FN3O4 and a molecular weight of 419.41 g/mol. Its IUPAC name is [(3-fluorophenyl)-pyridin-2-ylmethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate.

Molecular Properties

Compound Name[(3-fluorophenyl)-pyridin-2-ylmethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
PubChem CID56528338
Molecular FormulaC23H18FN3O4
Molecular Weight419.41 g/mol
Exact Mass419.13
IUPAC Name[(3-fluorophenyl)-pyridin-2-ylmethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
SMILESCc1nc(COc2ccc(C(=O)OC(c3cccc(F)c3)c3ccccn3)cc2)no1
InChIInChI=1S/C23H18FN3O4/c1-15-26-21(27-31-15)14-29-19-10-8-16(9-11-19)23(28)30-22(20-7-2-3-12-25-20)17-5-4-6-18(24)13-17/h2-13,22H,14H2,1H3
InChIKeyPJYVQUOYGWNARL-UHFFFAOYSA-N
XLogP4.44
TPSA87.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3-fluorophenyl)-pyridin-2-ylmethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate with MolForge

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Related Compounds

[(3-fluorophenyl)-pyridin-2-ylmethyl] 5-methylthiophene-2-carboxylate
CID 56528272
N-[4-(3-fluorophenoxy)phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 55908467
[(3-fluorophenyl)-pyridin-2-ylmethyl] 6-methoxypyridine-2-carboxylate
CID 71859545
[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 55497216
[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 46692322
[(3-fluorophenyl)-pyridin-2-ylmethyl] 2-(2-methylindol-1-yl)acetate
CID 56528275
[(3-fluorophenyl)-pyridin-2-ylmethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 56528329
2-(2,6-dimethylphenoxy)ethyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 46692359
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 42392819
propan-2-yl 3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-3-phenylpropanoate
CID 55494116
[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 46692355
[(3-fluorophenyl)-pyridin-2-ylmethyl] 3-(4-fluorophenyl)propanoate
CID 56528264

Frequently Asked Questions

What is the IUPAC name of [(3-fluorophenyl)-pyridin-2-ylmethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate?
The IUPAC name of [(3-fluorophenyl)-pyridin-2-ylmethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate (CID 56528338) is [(3-fluorophenyl)-pyridin-2-ylmethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate.
What is the SMILES notation for [(3-fluorophenyl)-pyridin-2-ylmethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate?
The canonical SMILES for [(3-fluorophenyl)-pyridin-2-ylmethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate is Cc1nc(COc2ccc(C(=O)OC(c3cccc(F)c3)c3ccccn3)cc2)no1.
What is the InChIKey of [(3-fluorophenyl)-pyridin-2-ylmethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate?
The InChIKey is PJYVQUOYGWNARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O4/c1-15-26-21(27-31-15)14-29-19-10-8-16(9-11-19)23(28)30-22(20-7-2-3-12-25-20)17-5-4-6-18(24)13-17/h2-13,22H,14H2,1H3.
What are the key properties of [(3-fluorophenyl)-pyridin-2-ylmethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate?
[(3-fluorophenyl)-pyridin-2-ylmethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate has a molecular weight of 419.41 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-fluorophenyl)-pyridin-2-ylmethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate is sourced from PubChem (CID 56528338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).