2-[5-[2-[4-(3-chloro-4-fluorophenyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]-2-methylpropanamide

C20H19ClFN3O2 — CID 173147941

IUPAC2-[5-[2-[4-(3-chloro-4-fluorophenyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]-2-methylpropanamide
SMILESCC(C)(C(N)=O)c1noc(CCc2ccc(-c3ccc(F)c(Cl)c3)cc2)n1
InChIInChI=1S/C20H19ClFN3O2/c1-20(2,18(23)26)19-24-17(27-25-19)10-5-12-3-6-13(7-4-12)14-8-9-16(22)15(21)11-14/h3-4,6-9,11H,5,10H2,1-2H3,(H2,23,26)
InChIKeyLOGKLZFGIRFQCG-UHFFFAOYSA-N
MW387.84 g/mol
LogP4.08
Rot. Bonds6

About 2-[5-[2-[4-(3-chloro-4-fluorophenyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]-2-methylpropanamide

2-[5-[2-[4-(3-chloro-4-fluorophenyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]-2-methylpropanamide (PubChem CID 173147941) has the molecular formula C20H19ClFN3O2 and a molecular weight of 387.84 g/mol. Its IUPAC name is 2-[5-[2-[4-(3-chloro-4-fluorophenyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[5-[2-[4-(3-chloro-4-fluorophenyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]-2-methylpropanamide
PubChem CID173147941
Molecular FormulaC20H19ClFN3O2
Molecular Weight387.84 g/mol
Exact Mass387.11
IUPAC Name2-[5-[2-[4-(3-chloro-4-fluorophenyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]-2-methylpropanamide
SMILESCC(C)(C(N)=O)c1noc(CCc2ccc(-c3ccc(F)c(Cl)c3)cc2)n1
InChIInChI=1S/C20H19ClFN3O2/c1-20(2,18(23)26)19-24-17(27-25-19)10-5-12-3-6-13(7-4-12)14-8-9-16(22)15(21)11-14/h3-4,6-9,11H,5,10H2,1-2H3,(H2,23,26)
InChIKeyLOGKLZFGIRFQCG-UHFFFAOYSA-N
XLogP4.08
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.84
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-Chloro-6-fluorophenyl)methyl]-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole
CID 4685787
3,5-Bis[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole
CID 5050996
2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 71970414
3-[(2-Chloro-6-fluorophenyl)methyl]-5-[cyclopentyl(phenyl)methyl]-1,2,4-oxadiazole
CID 5050999
3-[(2-Chloro-6-fluorophenyl)methyl]-5-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 5051000
(2R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)propan-2-amine
CID 11638525
5-[1-(3-Fluoro-4-phenylphenyl)ethyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 13690944
3-(2-Chloroethyl)-5-(3-fluoro-4-phenyl-alpha-methylbenzyl)-1,2,4-oxadiazole
CID 13690971
5-[(2-Chloro-4-fluorophenyl)methyl]-3-(4,4-dimethylpentyl)-1,2,4-oxadiazole
CID 59405503
2-[4-[5-Chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]acetamide
CID 68282072
5-[4-(3-Chloro-4-fluorophenyl)phenyl]-2,2-dimethyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pentanamide
CID 68867005
2-[4-(3-Chloro-4-fluorophenyl)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 68868155

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[4-(3-chloro-4-fluorophenyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]-2-methylpropanamide?
The IUPAC name of 2-[5-[2-[4-(3-chloro-4-fluorophenyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]-2-methylpropanamide (CID 173147941) is 2-[5-[2-[4-(3-chloro-4-fluorophenyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]-2-methylpropanamide.
What is the SMILES notation for 2-[5-[2-[4-(3-chloro-4-fluorophenyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]-2-methylpropanamide?
The canonical SMILES for 2-[5-[2-[4-(3-chloro-4-fluorophenyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]-2-methylpropanamide is CC(C)(C(N)=O)c1noc(CCc2ccc(-c3ccc(F)c(Cl)c3)cc2)n1.
What is the InChIKey of 2-[5-[2-[4-(3-chloro-4-fluorophenyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]-2-methylpropanamide?
The InChIKey is LOGKLZFGIRFQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O2/c1-20(2,18(23)26)19-24-17(27-25-19)10-5-12-3-6-13(7-4-12)14-8-9-16(22)15(21)11-14/h3-4,6-9,11H,5,10H2,1-2H3,(H2,23,26).
What are the key properties of 2-[5-[2-[4-(3-chloro-4-fluorophenyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]-2-methylpropanamide?
2-[5-[2-[4-(3-chloro-4-fluorophenyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]-2-methylpropanamide has a molecular weight of 387.84 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[4-(3-chloro-4-fluorophenyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]-2-methylpropanamide is sourced from PubChem (CID 173147941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).