3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-5-ethyl-1,2,4-oxadiazole

C19H19N3O3S — CID 53042681

IUPAC3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-5-ethyl-1,2,4-oxadiazole
SMILESCCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCc4ccccc43)c2)no1
InChIInChI=1S/C19H19N3O3S/c1-3-18-20-19(21-25-18)15-9-8-13(2)17(12-15)26(23,24)22-11-10-14-6-4-5-7-16(14)22/h4-9,12H,3,10-11H2,1-2H3
InChIKeyXRRHGWDXRUCFDH-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.36
Rot. Bonds4

About 3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-5-ethyl-1,2,4-oxadiazole

3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-5-ethyl-1,2,4-oxadiazole (PubChem CID 53042681) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-5-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-5-ethyl-1,2,4-oxadiazole
PubChem CID53042681
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-5-ethyl-1,2,4-oxadiazole
SMILESCCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCc4ccccc43)c2)no1
InChIInChI=1S/C19H19N3O3S/c1-3-18-20-19(21-25-18)15-9-8-13(2)17(12-15)26(23,24)22-11-10-14-6-4-5-7-16(14)22/h4-9,12H,3,10-11H2,1-2H3
InChIKeyXRRHGWDXRUCFDH-UHFFFAOYSA-N
XLogP3.36
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-5-ethyl-1,2,4-oxadiazole
CID 46365773
5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-oxazole
CID 20958910
8-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 46365792
5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-phenylbenzenesulfonamide
CID 53042694
N-(3-chloro-4-methylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide
CID 46365775
N-cyclooctyl-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide
CID 46365758
3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1H-pyridazin-6-one
CID 23611829
1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 46366026
2-cyclopropyl-5-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1,3-oxazole
CID 20959140
3-(2,3-dihydroindol-1-ylsulfonyl)-4,5-dimethylbenzoic acid
CID 9235357
5-ethyl-3-[5-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1,2,4-oxadiazole
CID 53041587
1-[4-methyl-2-[(4-methylphenyl)sulfanylmethyl]phenyl]sulfonyl-2,3-dihydroindole
CID 174914692

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-5-ethyl-1,2,4-oxadiazole?
The IUPAC name of 3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-5-ethyl-1,2,4-oxadiazole (CID 53042681) is 3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-5-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-5-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-5-ethyl-1,2,4-oxadiazole is CCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCc4ccccc43)c2)no1.
What is the InChIKey of 3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-5-ethyl-1,2,4-oxadiazole?
The InChIKey is XRRHGWDXRUCFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-3-18-20-19(21-25-18)15-9-8-13(2)17(12-15)26(23,24)22-11-10-14-6-4-5-7-16(14)22/h4-9,12H,3,10-11H2,1-2H3.
What are the key properties of 3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-5-ethyl-1,2,4-oxadiazole?
3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-5-ethyl-1,2,4-oxadiazole has a molecular weight of 369.45 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-5-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 53042681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).