5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-ethylphenyl]-3-methyl-1,2-oxazole

C20H20N2O3S — CID 20936348

IUPAC5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-ethylphenyl]-3-methyl-1,2-oxazole
SMILESCCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C20H20N2O3S/c1-3-15-8-9-17(19-12-14(2)21-25-19)13-20(15)26(23,24)22-11-10-16-6-4-5-7-18(16)22/h4-9,12-13H,3,10-11H2,1-2H3
InChIKeyQSUZBUGTOVYDQA-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.96
Rot. Bonds4

About 5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-ethylphenyl]-3-methyl-1,2-oxazole

5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-ethylphenyl]-3-methyl-1,2-oxazole (PubChem CID 20936348) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-ethylphenyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-ethylphenyl]-3-methyl-1,2-oxazole
PubChem CID20936348
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-ethylphenyl]-3-methyl-1,2-oxazole
SMILESCCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C20H20N2O3S/c1-3-15-8-9-17(19-12-14(2)21-25-19)13-20(15)26(23,24)22-11-10-16-6-4-5-7-18(16)22/h4-9,12-13H,3,10-11H2,1-2H3
InChIKeyQSUZBUGTOVYDQA-UHFFFAOYSA-N
XLogP3.96
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-ethylphenyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-ethylphenyl]-3-methyl-1,2-oxazole (CID 20936348) is 5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-ethylphenyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-ethylphenyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-ethylphenyl]-3-methyl-1,2-oxazole is CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCc2ccccc21.
What is the InChIKey of 5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-ethylphenyl]-3-methyl-1,2-oxazole?
The InChIKey is QSUZBUGTOVYDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-3-15-8-9-17(19-12-14(2)21-25-19)13-20(15)26(23,24)22-11-10-16-6-4-5-7-18(16)22/h4-9,12-13H,3,10-11H2,1-2H3.
What are the key properties of 5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-ethylphenyl]-3-methyl-1,2-oxazole?
5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-ethylphenyl]-3-methyl-1,2-oxazole has a molecular weight of 368.46 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-ethylphenyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 20936348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).