3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(difluoromethylsulfonyl)phenyl]propanamide

C18H14ClF2N3O4S — CID 55415197

IUPAC3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(difluoromethylsulfonyl)phenyl]propanamide
SMILESO=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C18H14ClF2N3O4S/c19-12-7-5-11(6-8-12)17-23-16(28-24-17)10-9-15(25)22-13-3-1-2-4-14(13)29(26,27)18(20)21/h1-8,18H,9-10H2,(H,22,25)
InChIKeyAYWUVQYIVGVVIG-UHFFFAOYSA-N
MW441.84 g/mol
LogP3.96
Rot. Bonds7

About 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(difluoromethylsulfonyl)phenyl]propanamide

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(difluoromethylsulfonyl)phenyl]propanamide (PubChem CID 55415197) has the molecular formula C18H14ClF2N3O4S and a molecular weight of 441.84 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(difluoromethylsulfonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(difluoromethylsulfonyl)phenyl]propanamide
PubChem CID55415197
Molecular FormulaC18H14ClF2N3O4S
Molecular Weight441.84 g/mol
Exact Mass441.04
IUPAC Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(difluoromethylsulfonyl)phenyl]propanamide
SMILESO=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C18H14ClF2N3O4S/c19-12-7-5-11(6-8-12)17-23-16(28-24-17)10-9-15(25)22-13-3-1-2-4-14(13)29(26,27)18(20)21/h1-8,18H,9-10H2,(H,22,25)
InChIKeyAYWUVQYIVGVVIG-UHFFFAOYSA-N
XLogP3.96
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.84
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762340
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide
CID 100759410
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-imidazol-1-ylphenyl)propanamide
CID 60512576
[2-(2-fluoroanilino)-2-oxoethyl] 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 8665903
N-(2,5-dichlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26687929
N-(4-bromo-2-chlorophenyl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26705874
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-chlorophenyl)propanamide
CID 100759437
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
CID 17101498
4-chloro-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propan-2-ylbenzamide
CID 55807409
N-(5-chloro-2-methylphenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26692915
N-(2-ethylsulfonylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55624880

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(difluoromethylsulfonyl)phenyl]propanamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(difluoromethylsulfonyl)phenyl]propanamide (CID 55415197) is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(difluoromethylsulfonyl)phenyl]propanamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(difluoromethylsulfonyl)phenyl]propanamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(difluoromethylsulfonyl)phenyl]propanamide is O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(difluoromethylsulfonyl)phenyl]propanamide?
The InChIKey is AYWUVQYIVGVVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O4S/c19-12-7-5-11(6-8-12)17-23-16(28-24-17)10-9-15(25)22-13-3-1-2-4-14(13)29(26,27)18(20)21/h1-8,18H,9-10H2,(H,22,25).
What are the key properties of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(difluoromethylsulfonyl)phenyl]propanamide?
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(difluoromethylsulfonyl)phenyl]propanamide has a molecular weight of 441.84 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(difluoromethylsulfonyl)phenyl]propanamide is sourced from PubChem (CID 55415197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).