3-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

C18H16FN3O4 — CID 43819048

IUPAC3-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCOc1ccc(-c2noc(C(=O)NCc3ccccc3F)n2)cc1OC
InChIInChI=1S/C18H16FN3O4/c1-24-14-8-7-11(9-15(14)25-2)16-21-18(26-22-16)17(23)20-10-12-5-3-4-6-13(12)19/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyHTQYDOZPKGADSP-UHFFFAOYSA-N
MW357.34 g/mol
LogP2.82
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

3-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 43819048) has the molecular formula C18H16FN3O4 and a molecular weight of 357.34 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID43819048
Molecular FormulaC18H16FN3O4
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCOc1ccc(-c2noc(C(=O)NCc3ccccc3F)n2)cc1OC
InChIInChI=1S/C18H16FN3O4/c1-24-14-8-7-11(9-15(14)25-2)16-21-18(26-22-16)17(23)20-10-12-5-3-4-6-13(12)19/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyHTQYDOZPKGADSP-UHFFFAOYSA-N
XLogP2.82
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 43819048) is 3-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide is COc1ccc(-c2noc(C(=O)NCc3ccccc3F)n2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is HTQYDOZPKGADSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4/c1-24-14-8-7-11(9-15(14)25-2)16-21-18(26-22-16)17(23)20-10-12-5-3-4-6-13(12)19/h3-9H,10H2,1-2H3,(H,20,23).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
3-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 357.34 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 43819048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).