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

C18H16FN3O4 — CID 83274970

IUPACN-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2noc(-c3ccc(F)cc3)n2)cc1OC
InChIInChI=1S/C18H16FN3O4/c1-24-14-8-3-11(9-15(14)25-2)10-20-17(23)16-21-18(26-22-16)12-4-6-13(19)7-5-12/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyRVODHQBCSNYEKD-UHFFFAOYSA-N
MW357.34 g/mol
LogP2.82
Rot. Bonds6

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

N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 83274970) has the molecular formula C18H16FN3O4 and a molecular weight of 357.34 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID83274970
Molecular FormulaC18H16FN3O4
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2noc(-c3ccc(F)cc3)n2)cc1OC
InChIInChI=1S/C18H16FN3O4/c1-24-14-8-3-11(9-15(14)25-2)10-20-17(23)16-21-18(26-22-16)12-4-6-13(19)7-5-12/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyRVODHQBCSNYEKD-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 N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide (CID 83274970) is N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide is COc1ccc(CNC(=O)c2noc(-c3ccc(F)cc3)n2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is RVODHQBCSNYEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4/c1-24-14-8-3-11(9-15(14)25-2)10-20-17(23)16-21-18(26-22-16)12-4-6-13(19)7-5-12/h3-9H,10H2,1-2H3,(H,20,23).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-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 N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 83274970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).