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

C14H11ClN4O5S — CID 4622656

IUPAC2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CS(=O)(=O)c2nnc(-c3cccc(Cl)c3)o2)no1
InChIInChI=1S/C14H11ClN4O5S/c1-8-5-11(19-24-8)16-12(20)7-25(21,22)14-18-17-13(23-14)9-3-2-4-10(15)6-9/h2-6H,7H2,1H3,(H,16,19,20)
InChIKeyNEVBEMMGIFEOHF-UHFFFAOYSA-N
MW382.79 g/mol
LogP2.10
Rot. Bonds5

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

2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 4622656) has the molecular formula C14H11ClN4O5S and a molecular weight of 382.79 g/mol. Its IUPAC name is 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID4622656
Molecular FormulaC14H11ClN4O5S
Molecular Weight382.79 g/mol
Exact Mass382.01
IUPAC Name2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CS(=O)(=O)c2nnc(-c3cccc(Cl)c3)o2)no1
InChIInChI=1S/C14H11ClN4O5S/c1-8-5-11(19-24-8)16-12(20)7-25(21,22)14-18-17-13(23-14)9-3-2-4-10(15)6-9/h2-6H,7H2,1H3,(H,16,19,20)
InChIKeyNEVBEMMGIFEOHF-UHFFFAOYSA-N
XLogP2.10
TPSA128.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.79
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 2-[[2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 3532960
2-(3-chlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2632943
2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 95922508
2-(4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7254489
2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 4069420
2-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977225
N-(3-chlorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47204376
5-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazole-2-carboxamide
CID 110392029
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 46477516
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylsulfanylphenyl)acetamide
CID 16854449
5-methyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 43977835
1-(azepan-1-yl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 4622656) is 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CS(=O)(=O)c2nnc(-c3cccc(Cl)c3)o2)no1.
What is the InChIKey of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is NEVBEMMGIFEOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O5S/c1-8-5-11(19-24-8)16-12(20)7-25(21,22)14-18-17-13(23-14)9-3-2-4-10(15)6-9/h2-6H,7H2,1H3,(H,16,19,20).
What are the key properties of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 382.79 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 4622656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).