2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfonyl]-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]acetamide

C20H14Cl2N4O5S — CID 72723918

IUPAC2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfonyl]-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]acetamide
SMILESO=C(CS(=O)(=O)Cc1nnc(-c2ccccc2Cl)o1)Nc1nc(-c2ccc(Cl)cc2)co1
InChIInChI=1S/C20H14Cl2N4O5S/c21-13-7-5-12(6-8-13)16-9-30-20(23-16)24-17(27)10-32(28,29)11-18-25-26-19(31-18)14-3-1-2-4-15(14)22/h1-9H,10-11H2,(H,23,24,27)
InChIKeyYRUOYQNAHONITK-UHFFFAOYSA-N
MW493.33 g/mol
LogP4.25
Rot. Bonds7

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

2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfonyl]-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]acetamide (PubChem CID 72723918) has the molecular formula C20H14Cl2N4O5S and a molecular weight of 493.33 g/mol. Its IUPAC name is 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfonyl]-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfonyl]-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]acetamide
PubChem CID72723918
Molecular FormulaC20H14Cl2N4O5S
Molecular Weight493.33 g/mol
Exact Mass492.01
IUPAC Name2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfonyl]-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]acetamide
SMILESO=C(CS(=O)(=O)Cc1nnc(-c2ccccc2Cl)o1)Nc1nc(-c2ccc(Cl)cc2)co1
InChIInChI=1S/C20H14Cl2N4O5S/c21-13-7-5-12(6-8-13)16-9-30-20(23-16)24-17(27)10-32(28,29)11-18-25-26-19(31-18)14-3-1-2-4-15(14)22/h1-9H,10-11H2,(H,23,24,27)
InChIKeyYRUOYQNAHONITK-UHFFFAOYSA-N
XLogP4.25
TPSA128.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.33
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfonyl]-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-[[4-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfamoyl]acetamide
CID 139222050
2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-oxadiazole
CID 42632515
4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylbenzamide
CID 4806431
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide
CID 3412636
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319667
N-(3-chloro-4-fluorophenyl)-3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334529
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
CID 110319665
N-(3-chlorophenyl)-3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334527
1-(4-chlorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea
CID 46392806
2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluorobenzamide
CID 110319707
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylsulfanylpropanamide
CID 5060857
2-(4-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 55432986

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfonyl]-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]acetamide?
The IUPAC name of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfonyl]-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]acetamide (CID 72723918) is 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfonyl]-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]acetamide.
What is the SMILES notation for 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfonyl]-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]acetamide?
The canonical SMILES for 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfonyl]-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]acetamide is O=C(CS(=O)(=O)Cc1nnc(-c2ccccc2Cl)o1)Nc1nc(-c2ccc(Cl)cc2)co1.
What is the InChIKey of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfonyl]-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]acetamide?
The InChIKey is YRUOYQNAHONITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4O5S/c21-13-7-5-12(6-8-13)16-9-30-20(23-16)24-17(27)10-32(28,29)11-18-25-26-19(31-18)14-3-1-2-4-15(14)22/h1-9H,10-11H2,(H,23,24,27).
What are the key properties of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfonyl]-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]acetamide?
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfonyl]-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]acetamide has a molecular weight of 493.33 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfonyl]-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]acetamide is sourced from PubChem (CID 72723918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).