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

C18H16ClN3O2S — CID 50874876

IUPACN-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)NCc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C18H16ClN3O2S/c1-12(25-13-7-3-2-4-8-13)18(23)20-11-16-21-17(22-24-16)14-9-5-6-10-15(14)19/h2-10,12H,11H2,1H3,(H,20,23)
InChIKeyMDJGZFZCCFHQBG-UHFFFAOYSA-N
MW373.87 g/mol
LogP4.19
Rot. Bonds6

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

N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylsulfanylpropanamide (PubChem CID 50874876) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylsulfanylpropanamide
PubChem CID50874876
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC NameN-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)NCc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C18H16ClN3O2S/c1-12(25-13-7-3-2-4-8-13)18(23)20-11-16-21-17(22-24-16)14-9-5-6-10-15(14)19/h2-10,12H,11H2,1H3,(H,20,23)
InChIKeyMDJGZFZCCFHQBG-UHFFFAOYSA-N
XLogP4.19
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylsulfanylpropanamide?
The IUPAC name of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylsulfanylpropanamide (CID 50874876) is N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylsulfanylpropanamide?
The canonical SMILES for N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylsulfanylpropanamide is CC(Sc1ccccc1)C(=O)NCc1nc(-c2ccccc2Cl)no1.
What is the InChIKey of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylsulfanylpropanamide?
The InChIKey is MDJGZFZCCFHQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-12(25-13-7-3-2-4-8-13)18(23)20-11-16-21-17(22-24-16)14-9-5-6-10-15(14)19/h2-10,12H,11H2,1H3,(H,20,23).
What are the key properties of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylsulfanylpropanamide?
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylsulfanylpropanamide has a molecular weight of 373.87 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylsulfanylpropanamide is sourced from PubChem (CID 50874876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).