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

C15H18ClN3O2S — CID 3895358

IUPAC3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCSc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C15H18ClN3O2S/c1-3-19(4-2)13(20)9-10-22-15-18-17-14(21-15)11-7-5-6-8-12(11)16/h5-8H,3-4,9-10H2,1-2H3
InChIKeyMOBSVPNZTVHOMW-UHFFFAOYSA-N
MW339.85 g/mol
LogP3.74
Rot. Bonds7

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

3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide (PubChem CID 3895358) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide
PubChem CID3895358
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCSc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C15H18ClN3O2S/c1-3-19(4-2)13(20)9-10-22-15-18-17-14(21-15)11-7-5-6-8-12(11)16/h5-8H,3-4,9-10H2,1-2H3
InChIKeyMOBSVPNZTVHOMW-UHFFFAOYSA-N
XLogP3.74
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide with MolForge

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Related Compounds

3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 861511
N,N-diethyl-3-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 4279921
5-(2-chlorophenyl)-N,N-diethyl-1,3,4-oxadiazole-2-carboxamide
CID 110391269
3-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide
CID 3503612
N,N-diethyl-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 3922572
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-1-hydroxybutan-2-yl]acetamide
CID 155951178
[2-(dimethylamino)-2-oxoethyl] 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 7879745
ethyl 2-[[2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetate
CID 3856127
(2,6-dimethylphenyl) 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 3126873
3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 3620914
3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 9484094
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopropylacetamide
CID 9165636

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide?
The IUPAC name of 3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide (CID 3895358) is 3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide?
The canonical SMILES for 3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide is CCN(CC)C(=O)CCSc1nnc(-c2ccccc2Cl)o1.
What is the InChIKey of 3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide?
The InChIKey is MOBSVPNZTVHOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-3-19(4-2)13(20)9-10-22-15-18-17-14(21-15)11-7-5-6-8-12(11)16/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide?
3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide has a molecular weight of 339.85 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide is sourced from PubChem (CID 3895358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).