3,5-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2-oxazole

C19H21N3O3S — CID 24743697

IUPAC3,5-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2ccccc21
InChIInChI=1S/C19H21N3O3S/c1-13-19(14(2)25-20-13)26(23,24)22-12-17(15-8-10-21(3)11-9-15)16-6-4-5-7-18(16)22/h4-8,12H,9-11H2,1-3H3
InChIKeyWXQXUNMVDYMRTF-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.20
Rot. Bonds3

About 3,5-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2-oxazole

3,5-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2-oxazole (PubChem CID 24743697) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 3,5-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2-oxazole
PubChem CID24743697
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name3,5-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2ccccc21
InChIInChI=1S/C19H21N3O3S/c1-13-19(14(2)25-20-13)26(23,24)22-12-17(15-8-10-21(3)11-9-15)16-6-4-5-7-18(16)22/h4-8,12H,9-11H2,1-3H3
InChIKeyWXQXUNMVDYMRTF-UHFFFAOYSA-N
XLogP3.20
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2-oxazole (CID 24743697) is 3,5-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2-oxazole is Cc1noc(C)c1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2ccccc21.
What is the InChIKey of 3,5-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2-oxazole?
The InChIKey is WXQXUNMVDYMRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-13-19(14(2)25-20-13)26(23,24)22-12-17(15-8-10-21(3)11-9-15)16-6-4-5-7-18(16)22/h4-8,12H,9-11H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2-oxazole?
3,5-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2-oxazole has a molecular weight of 371.46 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2-oxazole is sourced from PubChem (CID 24743697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).