N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C15H15ClN4O4S — CID 110321600

IUPACN-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C15H15ClN4O4S/c1-9-14(10(2)24-20-9)25(21,22)17-8-7-13-18-19-15(23-13)11-5-3-4-6-12(11)16/h3-6,17H,7-8H2,1-2H3
InChIKeyNMWNHMJSSPLQOT-UHFFFAOYSA-N
MW382.83 g/mol
LogP2.52
Rot. Bonds6

About N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 110321600) has the molecular formula C15H15ClN4O4S and a molecular weight of 382.83 g/mol. Its IUPAC name is N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID110321600
Molecular FormulaC15H15ClN4O4S
Molecular Weight382.83 g/mol
Exact Mass382.05
IUPAC NameN-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C15H15ClN4O4S/c1-9-14(10(2)24-20-9)25(21,22)17-8-7-13-18-19-15(23-13)11-5-3-4-6-12(11)16/h3-6,17H,7-8H2,1-2H3
InChIKeyNMWNHMJSSPLQOT-UHFFFAOYSA-N
XLogP2.52
TPSA111.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 110321583
3,5-dimethyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 110320355
3,5-dimethyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1H-pyrazole-4-sulfonamide
CID 110321268
N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 7436894
2-chloro-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110368569
N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropanamide
CID 110321512
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62139450
3-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,1-dimethylurea
CID 110321568
3,5-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 110731554
3,5-dimethyl-N-[2-(4-propylphenyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 110787816
(2,6-dichlorophenyl)methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate
CID 8614385
2-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320490

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 110321600) is N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCCc1nnc(-c2ccccc2Cl)o1.
What is the InChIKey of N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is NMWNHMJSSPLQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O4S/c1-9-14(10(2)24-20-9)25(21,22)17-8-7-13-18-19-15(23-13)11-5-3-4-6-12(11)16/h3-6,17H,7-8H2,1-2H3.
What are the key properties of N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 382.83 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 110321600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).