N-(3,4-dichlorophenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide

C15H11Cl2N3O3 — CID 36654595

IUPACN-(3,4-dichlorophenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(-c2ccco2)no1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2N3O3/c16-10-4-3-9(8-11(10)17)18-13(21)5-6-14-19-15(20-23-14)12-2-1-7-22-12/h1-4,7-8H,5-6H2,(H,18,21)
InChIKeyXPPHRXKMJMRUQM-UHFFFAOYSA-N
MW352.18 g/mol
LogP4.21
Rot. Bonds5

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

N-(3,4-dichlorophenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 36654595) has the molecular formula C15H11Cl2N3O3 and a molecular weight of 352.18 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID36654595
Molecular FormulaC15H11Cl2N3O3
Molecular Weight352.18 g/mol
Exact Mass351.02
IUPAC NameN-(3,4-dichlorophenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(-c2ccco2)no1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2N3O3/c16-10-4-3-9(8-11(10)17)18-13(21)5-6-14-19-15(20-23-14)12-2-1-7-22-12/h1-4,7-8H,5-6H2,(H,18,21)
InChIKeyXPPHRXKMJMRUQM-UHFFFAOYSA-N
XLogP4.21
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 36705195
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-(methylcarbamoylamino)phenyl]propanamide
CID 36862559
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55553285
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylsulfonylphenyl)propanamide
CID 33160233
propyl 4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate
CID 36801497
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]propanamide
CID 55886585
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55784520
N-(3-chloro-4-fluorophenyl)-3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100757710
N-(3,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide
CID 43063792
N-[3-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 75447526
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 36816873
(2S)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid
CID 119238162

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide (CID 36654595) is N-(3,4-dichlorophenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide is O=C(CCc1nc(-c2ccco2)no1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is XPPHRXKMJMRUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O3/c16-10-4-3-9(8-11(10)17)18-13(21)5-6-14-19-15(20-23-14)12-2-1-7-22-12/h1-4,7-8H,5-6H2,(H,18,21).
What are the key properties of N-(3,4-dichlorophenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(3,4-dichlorophenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 352.18 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 36654595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).