3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide

C20H19ClFN3O2 — CID 25033942

IUPAC3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)CCc2nc(-c3ccc(F)cc3Cl)no2)cc1
InChIInChI=1S/C20H19ClFN3O2/c1-12(2)13-3-6-15(7-4-13)23-18(26)9-10-19-24-20(25-27-19)16-8-5-14(22)11-17(16)21/h3-8,11-12H,9-10H2,1-2H3,(H,23,26)
InChIKeyIDMHLZYSPIYBSQ-UHFFFAOYSA-N
MW387.84 g/mol
LogP5.22
Rot. Bonds6

About 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide

3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 25033942) has the molecular formula C20H19ClFN3O2 and a molecular weight of 387.84 g/mol. Its IUPAC name is 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide
PubChem CID25033942
Molecular FormulaC20H19ClFN3O2
Molecular Weight387.84 g/mol
Exact Mass387.11
IUPAC Name3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)CCc2nc(-c3ccc(F)cc3Cl)no2)cc1
InChIInChI=1S/C20H19ClFN3O2/c1-12(2)13-3-6-15(7-4-13)23-18(26)9-10-19-24-20(25-27-19)16-8-5-14(22)11-17(16)21/h3-8,11-12H,9-10H2,1-2H3,(H,23,26)
InChIKeyIDMHLZYSPIYBSQ-UHFFFAOYSA-N
XLogP5.22
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.84
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Chlorophenyl)-4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 44091571
N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinecarboxamide
CID 649642
N-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 665846
N-(2,3-dimethylphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 1253328
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 1869495
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-chlorophenyl)propanamide
CID 3576193
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2,5-dimethylphenyl)propanamide
CID 16013254
N-(2-chloro-4-methylphenyl)-1-{3-[4-(propan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl}piperidine-4-carboxamide
CID 16030656
N-(3-fluoro-4-methylphenyl)-3-[3-[1-[(3-methylphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]propanamide
CID 16030807
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylpropanamide
CID 16193185
4-(3-(3-Chlorophenyl)-1,2,4-oxadiazol-5-yl)-1-(4-fluorophenyl)pyrrolidin-2-one
CID 16955923
1-(3-Chloro-4-methylphenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 16955975

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide (CID 25033942) is 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(NC(=O)CCc2nc(-c3ccc(F)cc3Cl)no2)cc1.
What is the InChIKey of 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is IDMHLZYSPIYBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O2/c1-12(2)13-3-6-15(7-4-13)23-18(26)9-10-19-24-20(25-27-19)16-8-5-14(22)11-17(16)21/h3-8,11-12H,9-10H2,1-2H3,(H,23,26).
What are the key properties of 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide?
3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 387.84 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 25033942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).