5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide

C20H19ClFN3O4 — CID 666278

IUPAC5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2nnc(Cc3c(F)cccc3Cl)o2)cc1OC
InChIInChI=1S/C20H19ClFN3O4/c1-27-16-7-6-12(10-17(16)28-2)8-9-23-19(26)20-25-24-18(29-20)11-13-14(21)4-3-5-15(13)22/h3-7,10H,8-9,11H2,1-2H3,(H,23,26)
InChIKeyRGUXHNJZDGMYSF-UHFFFAOYSA-N
MW419.84 g/mol
LogP3.44
Rot. Bonds8

About 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide

5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 666278) has the molecular formula C20H19ClFN3O4 and a molecular weight of 419.84 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID666278
Molecular FormulaC20H19ClFN3O4
Molecular Weight419.84 g/mol
Exact Mass419.10
IUPAC Name5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2nnc(Cc3c(F)cccc3Cl)o2)cc1OC
InChIInChI=1S/C20H19ClFN3O4/c1-27-16-7-6-12(10-17(16)28-2)8-9-23-19(26)20-25-24-18(29-20)11-13-14(21)4-3-5-15(13)22/h3-7,10H,8-9,11H2,1-2H3,(H,23,26)
InChIKeyRGUXHNJZDGMYSF-UHFFFAOYSA-N
XLogP3.44
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.84
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide (CID 666278) is 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide is COc1ccc(CCNC(=O)c2nnc(Cc3c(F)cccc3Cl)o2)cc1OC.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is RGUXHNJZDGMYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O4/c1-27-16-7-6-12(10-17(16)28-2)8-9-23-19(26)20-25-24-18(29-20)11-13-14(21)4-3-5-15(13)22/h3-7,10H,8-9,11H2,1-2H3,(H,23,26).
What are the key properties of 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide?
5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 419.84 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 666278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).