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

C17H12F3N3O2 — CID 100754817

IUPACN-(2,4-difluorophenyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(-c2cccc(F)c2)no1)Nc1ccc(F)cc1F
InChIInChI=1S/C17H12F3N3O2/c18-11-3-1-2-10(8-11)17-22-16(25-23-17)7-6-15(24)21-14-5-4-12(19)9-13(14)20/h1-5,8-9H,6-7H2,(H,21,24)
InChIKeyXARKVOYONZLGEQ-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.73
Rot. Bonds5

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

N-(2,4-difluorophenyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 100754817) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID100754817
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC NameN-(2,4-difluorophenyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(-c2cccc(F)c2)no1)Nc1ccc(F)cc1F
InChIInChI=1S/C17H12F3N3O2/c18-11-3-1-2-10(8-11)17-22-16(25-23-17)7-6-15(24)21-14-5-4-12(19)9-13(14)20/h1-5,8-9H,6-7H2,(H,21,24)
InChIKeyXARKVOYONZLGEQ-UHFFFAOYSA-N
XLogP3.73
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100754661
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-difluorophenyl)propanamide
CID 100757698
N-(3-bromophenyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100754735
N-[(4-fluorophenyl)methyl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 71821682
3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 100754453
N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 99865931
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyphenyl)propanamide
CID 51089496
N-[1-(4-chlorophenyl)ethyl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 133200580
N-(5-fluoro-2-methylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46459911
[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
CID 9058981
N-(2,5-dichlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26687929
N-(2-fluoro-5-methylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 18197998

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 100754817) is N-(2,4-difluorophenyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is O=C(CCc1nc(-c2cccc(F)c2)no1)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is XARKVOYONZLGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2/c18-11-3-1-2-10(8-11)17-22-16(25-23-17)7-6-15(24)21-14-5-4-12(19)9-13(14)20/h1-5,8-9H,6-7H2,(H,21,24).
What are the key properties of N-(2,4-difluorophenyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(2,4-difluorophenyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 347.30 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 100754817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).