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

C20H19ClFN3O3 — CID 46398943

IUPACN-(3-chloro-4-propan-2-yloxyphenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC(C)Oc1ccc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1Cl
InChIInChI=1S/C20H19ClFN3O3/c1-12(2)27-17-8-7-15(11-16(17)21)23-18(26)9-10-19-24-20(25-28-19)13-3-5-14(22)6-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,23,26)
InChIKeyPPQUQTJQNGMHPR-UHFFFAOYSA-N
MW403.84 g/mol
LogP4.89
Rot. Bonds7

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

N-(3-chloro-4-propan-2-yloxyphenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 46398943) has the molecular formula C20H19ClFN3O3 and a molecular weight of 403.84 g/mol. Its IUPAC name is N-(3-chloro-4-propan-2-yloxyphenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-propan-2-yloxyphenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID46398943
Molecular FormulaC20H19ClFN3O3
Molecular Weight403.84 g/mol
Exact Mass403.11
IUPAC NameN-(3-chloro-4-propan-2-yloxyphenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC(C)Oc1ccc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1Cl
InChIInChI=1S/C20H19ClFN3O3/c1-12(2)27-17-8-7-15(11-16(17)21)23-18(26)9-10-19-24-20(25-28-19)13-3-5-14(22)6-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,23,26)
InChIKeyPPQUQTJQNGMHPR-UHFFFAOYSA-N
XLogP4.89
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.84
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-yloxyphenyl)propanamide
CID 110330770
N-(3-chloro-4-cyanophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26705345
N-(3-chloro-4-methoxyphenyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9083038
N-(3-chloro-4-fluorophenyl)-3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100764102
N-(4-acetamido-3-chlorophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18209688
N-(3-chloro-4-methylphenyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26688026
N-(3-chloro-4-methoxyphenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
CID 50759639
N-(4-fluorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762327
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-yloxyphenyl)propanamide
CID 55923884
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(2-methylpropyl)indol-5-yl]propanamide
CID 47080802
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9257330
N-(2,5-dichlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26687929

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-propan-2-yloxyphenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(3-chloro-4-propan-2-yloxyphenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 46398943) is N-(3-chloro-4-propan-2-yloxyphenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(3-chloro-4-propan-2-yloxyphenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(3-chloro-4-propan-2-yloxyphenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is CC(C)Oc1ccc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-propan-2-yloxyphenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is PPQUQTJQNGMHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O3/c1-12(2)27-17-8-7-15(11-16(17)21)23-18(26)9-10-19-24-20(25-28-19)13-3-5-14(22)6-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,23,26).
What are the key properties of N-(3-chloro-4-propan-2-yloxyphenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(3-chloro-4-propan-2-yloxyphenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 403.84 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-propan-2-yloxyphenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 46398943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).