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

C19H16FN3O4 — CID 110333915

IUPACmethyl 3-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CCc2nnc(-c3ccccc3F)o2)c1
InChIInChI=1S/C19H16FN3O4/c1-26-19(25)12-5-4-6-13(11-12)21-16(24)9-10-17-22-23-18(27-17)14-7-2-3-8-15(14)20/h2-8,11H,9-10H2,1H3,(H,21,24)
InChIKeyNZHCULGCBTXINJ-UHFFFAOYSA-N
MW369.35 g/mol
LogP3.23
Rot. Bonds6

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

methyl 3-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate (PubChem CID 110333915) has the molecular formula C19H16FN3O4 and a molecular weight of 369.35 g/mol. Its IUPAC name is methyl 3-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 3-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate
PubChem CID110333915
Molecular FormulaC19H16FN3O4
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC Namemethyl 3-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CCc2nnc(-c3ccccc3F)o2)c1
InChIInChI=1S/C19H16FN3O4/c1-26-19(25)12-5-4-6-13(11-12)21-16(24)9-10-17-22-23-18(27-17)14-7-2-3-8-15(14)20/h2-8,11H,9-10H2,1H3,(H,21,24)
InChIKeyNZHCULGCBTXINJ-UHFFFAOYSA-N
XLogP3.23
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate?
The IUPAC name of methyl 3-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate (CID 110333915) is methyl 3-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate.
What is the SMILES notation for methyl 3-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate?
The canonical SMILES for methyl 3-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate is COC(=O)c1cccc(NC(=O)CCc2nnc(-c3ccccc3F)o2)c1.
What is the InChIKey of methyl 3-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate?
The InChIKey is NZHCULGCBTXINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O4/c1-26-19(25)12-5-4-6-13(11-12)21-16(24)9-10-17-22-23-18(27-17)14-7-2-3-8-15(14)20/h2-8,11H,9-10H2,1H3,(H,21,24).
What are the key properties of methyl 3-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate?
methyl 3-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate has a molecular weight of 369.35 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate is sourced from PubChem (CID 110333915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).