N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-cyanoacetamide

C11H7ClN4O2 — CID 155530097

IUPACN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-cyanoacetamide
SMILESN#CCC(=O)Nc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C11H7ClN4O2/c12-8-3-1-7(2-4-8)10-15-16-11(18-10)14-9(17)5-6-13/h1-4H,5H2,(H,14,16,17)
InChIKeyLTRGTHZIATYNCN-UHFFFAOYSA-N
MW262.66 g/mol
LogP2.24
Rot. Bonds3

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

N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-cyanoacetamide (PubChem CID 155530097) has the molecular formula C11H7ClN4O2 and a molecular weight of 262.66 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-cyanoacetamide
PubChem CID155530097
Molecular FormulaC11H7ClN4O2
Molecular Weight262.66 g/mol
Exact Mass262.03
IUPAC NameN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-cyanoacetamide
SMILESN#CCC(=O)Nc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C11H7ClN4O2/c12-8-3-1-7(2-4-8)10-15-16-11(18-10)14-9(17)5-6-13/h1-4H,5H2,(H,14,16,17)
InChIKeyLTRGTHZIATYNCN-UHFFFAOYSA-N
XLogP2.24
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.66
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 356899
5-(3-Chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 121151
N-(5-Phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 199264
4-chloro-N-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4128171
2-Amino-5-(2-chlorophenyl)-1,3,4-oxadiazole
CID 3694323
5-(4-chlorophenyl)-N,N-dimethyl-1,3,4-oxadiazol-2-amine
CID 1487943
5-(4-chlorophenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3,4-oxadiazol-2-amine
CID 658858
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 4531090
4-chloro-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 691499
4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 805087
N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 4149294
2-Propenamide, 2-cyano-3-phenyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-
CID 5469110

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-cyanoacetamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-cyanoacetamide (CID 155530097) is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-cyanoacetamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-cyanoacetamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-cyanoacetamide is N#CCC(=O)Nc1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-cyanoacetamide?
The InChIKey is LTRGTHZIATYNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O2/c12-8-3-1-7(2-4-8)10-15-16-11(18-10)14-9(17)5-6-13/h1-4H,5H2,(H,14,16,17).
What are the key properties of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-cyanoacetamide?
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-cyanoacetamide has a molecular weight of 262.66 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-cyanoacetamide is sourced from PubChem (CID 155530097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).