N-(5-chloro-2-phenoxyphenyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide

C24H17ClF3N3O3 — CID 100756351

IUPACN-(5-chloro-2-phenoxyphenyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C24H17ClF3N3O3/c25-17-9-10-20(33-18-7-2-1-3-8-18)19(14-17)29-21(32)11-12-22-30-23(31-34-22)15-5-4-6-16(13-15)24(26,27)28/h1-10,13-14H,11-12H2,(H,29,32)
InChIKeyLVUFYQZGISJDRP-UHFFFAOYSA-N
MW487.87 g/mol
LogP6.77
Rot. Bonds7

About N-(5-chloro-2-phenoxyphenyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide

N-(5-chloro-2-phenoxyphenyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 100756351) has the molecular formula C24H17ClF3N3O3 and a molecular weight of 487.87 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID100756351
Molecular FormulaC24H17ClF3N3O3
Molecular Weight487.87 g/mol
Exact Mass487.09
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C24H17ClF3N3O3/c25-17-9-10-20(33-18-7-2-1-3-8-18)19(14-17)29-21(32)11-12-22-30-23(31-34-22)15-5-4-6-16(13-15)24(26,27)28/h1-10,13-14H,11-12H2,(H,29,32)
InChIKeyLVUFYQZGISJDRP-UHFFFAOYSA-N
XLogP6.77
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.87
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dichlorophenyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 100755858
N-(5-chloro-2-methoxyphenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100760642
N-(2-phenylsulfanylphenyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 100756344
N-benzhydryl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 100756426
N-(2-phenoxyphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100763240
N-[(1R)-1-phenylethyl]-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 100755550
N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide
CID 2212566
N-[2-(4-ethoxyphenoxy)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 18198211
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 100756022
N-(2-methoxyphenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 2000634
N-(2,5-dimethoxyphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100758426
N-(5-chloro-2-methoxyphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31066407

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide (CID 100756351) is N-(5-chloro-2-phenoxyphenyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide is O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)Nc1cc(Cl)ccc1Oc1ccccc1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is LVUFYQZGISJDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3N3O3/c25-17-9-10-20(33-18-7-2-1-3-8-18)19(14-17)29-21(32)11-12-22-30-23(31-34-22)15-5-4-6-16(13-15)24(26,27)28/h1-10,13-14H,11-12H2,(H,29,32).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide?
N-(5-chloro-2-phenoxyphenyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 487.87 g/mol, XLogP of 6.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 100756351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).