3,4-dimethyl-5-[4-methyl-3-(3-methylindol-1-yl)sulfonylphenyl]-1,2-oxazole

C21H20N2O3S — CID 90469174

IUPAC3,4-dimethyl-5-[4-methyl-3-(3-methylindol-1-yl)sulfonylphenyl]-1,2-oxazole
SMILESCc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)n1cc(C)c2ccccc21
InChIInChI=1S/C21H20N2O3S/c1-13-9-10-17(21-15(3)16(4)22-26-21)11-20(13)27(24,25)23-12-14(2)18-7-5-6-8-19(18)23/h5-12H,1-4H3
InChIKeyJMJYVVACVAYZKP-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.77
Rot. Bonds3

About 3,4-dimethyl-5-[4-methyl-3-(3-methylindol-1-yl)sulfonylphenyl]-1,2-oxazole

3,4-dimethyl-5-[4-methyl-3-(3-methylindol-1-yl)sulfonylphenyl]-1,2-oxazole (PubChem CID 90469174) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 3,4-dimethyl-5-[4-methyl-3-(3-methylindol-1-yl)sulfonylphenyl]-1,2-oxazole.

Molecular Properties

Compound Name3,4-dimethyl-5-[4-methyl-3-(3-methylindol-1-yl)sulfonylphenyl]-1,2-oxazole
PubChem CID90469174
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name3,4-dimethyl-5-[4-methyl-3-(3-methylindol-1-yl)sulfonylphenyl]-1,2-oxazole
SMILESCc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)n1cc(C)c2ccccc21
InChIInChI=1S/C21H20N2O3S/c1-13-9-10-17(21-15(3)16(4)22-26-21)11-20(13)27(24,25)23-12-14(2)18-7-5-6-8-19(18)23/h5-12H,1-4H3
InChIKeyJMJYVVACVAYZKP-UHFFFAOYSA-N
XLogP4.77
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-[4-methyl-3-(3-methylindol-1-yl)sulfonylphenyl]-1,2-oxazole?
The IUPAC name of 3,4-dimethyl-5-[4-methyl-3-(3-methylindol-1-yl)sulfonylphenyl]-1,2-oxazole (CID 90469174) is 3,4-dimethyl-5-[4-methyl-3-(3-methylindol-1-yl)sulfonylphenyl]-1,2-oxazole.
What is the SMILES notation for 3,4-dimethyl-5-[4-methyl-3-(3-methylindol-1-yl)sulfonylphenyl]-1,2-oxazole?
The canonical SMILES for 3,4-dimethyl-5-[4-methyl-3-(3-methylindol-1-yl)sulfonylphenyl]-1,2-oxazole is Cc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)n1cc(C)c2ccccc21.
What is the InChIKey of 3,4-dimethyl-5-[4-methyl-3-(3-methylindol-1-yl)sulfonylphenyl]-1,2-oxazole?
The InChIKey is JMJYVVACVAYZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-13-9-10-17(21-15(3)16(4)22-26-21)11-20(13)27(24,25)23-12-14(2)18-7-5-6-8-19(18)23/h5-12H,1-4H3.
What are the key properties of 3,4-dimethyl-5-[4-methyl-3-(3-methylindol-1-yl)sulfonylphenyl]-1,2-oxazole?
3,4-dimethyl-5-[4-methyl-3-(3-methylindol-1-yl)sulfonylphenyl]-1,2-oxazole has a molecular weight of 380.47 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-[4-methyl-3-(3-methylindol-1-yl)sulfonylphenyl]-1,2-oxazole is sourced from PubChem (CID 90469174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).