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

C12H12ClN3O2S — CID 3311415

IUPACN-(2-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESCc1nnc(SCCC(=O)Nc2ccccc2Cl)o1
InChIInChI=1S/C12H12ClN3O2S/c1-8-15-16-12(18-8)19-7-6-11(17)14-10-5-3-2-4-9(10)13/h2-5H,6-7H2,1H3,(H,14,17)
InChIKeyGIZJDRIHSHSARV-UHFFFAOYSA-N
MW297.77 g/mol
LogP3.15
Rot. Bonds5

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

N-(2-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (PubChem CID 3311415) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
PubChem CID3311415
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC NameN-(2-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESCc1nnc(SCCC(=O)Nc2ccccc2Cl)o1
InChIInChI=1S/C12H12ClN3O2S/c1-8-15-16-12(18-8)19-7-6-11(17)14-10-5-3-2-4-9(10)13/h2-5H,6-7H2,1H3,(H,14,17)
InChIKeyGIZJDRIHSHSARV-UHFFFAOYSA-N
XLogP3.15
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (CID 3311415) is N-(2-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is Cc1nnc(SCCC(=O)Nc2ccccc2Cl)o1.
What is the InChIKey of N-(2-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is GIZJDRIHSHSARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c1-8-15-16-12(18-8)19-7-6-11(17)14-10-5-3-2-4-9(10)13/h2-5H,6-7H2,1H3,(H,14,17).
What are the key properties of N-(2-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
N-(2-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 297.77 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 3311415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).