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

C11H9Cl2N3O2 — CID 43976455

IUPACN-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C11H9Cl2N3O2/c1-2-9(17)14-11-16-15-10(18-11)6-3-7(12)5-8(13)4-6/h3-5H,2H2,1H3,(H,14,16,17)
InChIKeyDMOCPDNPDIXXKR-UHFFFAOYSA-N
MW286.12 g/mol
LogP3.39
Rot. Bonds3

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

N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 43976455) has the molecular formula C11H9Cl2N3O2 and a molecular weight of 286.12 g/mol. Its IUPAC name is N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID43976455
Molecular FormulaC11H9Cl2N3O2
Molecular Weight286.12 g/mol
Exact Mass285.01
IUPAC NameN-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C11H9Cl2N3O2/c1-2-9(17)14-11-16-15-10(18-11)6-3-7(12)5-8(13)4-6/h3-5H,2H2,1H3,(H,14,16,17)
InChIKeyDMOCPDNPDIXXKR-UHFFFAOYSA-N
XLogP3.39
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide
CID 43976548
2-(4-chlorophenyl)sulfanyl-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43976507
3-(4-chlorophenyl)sulfanyl-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 43976508
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide
CID 43976407
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide
CID 43976527
3,5-dichloro-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43976885
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43976406
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(dimethylamino)benzamide
CID 43976473
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(diethylamino)acetamide
CID 24854246
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide
CID 43976534
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide
CID 16854452
2-(4-chlorophenoxy)-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43976699

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 43976455) is N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide is CCC(=O)Nc1nnc(-c2cc(Cl)cc(Cl)c2)o1.
What is the InChIKey of N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is DMOCPDNPDIXXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2/c1-2-9(17)14-11-16-15-10(18-11)6-3-7(12)5-8(13)4-6/h3-5H,2H2,1H3,(H,14,16,17).
What are the key properties of N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 286.12 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 43976455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).