4-[3-[2-(dimethylsulfinamoylamino)ethyl]-1-(2-methylpropyl)indol-6-yl]-1,2-oxazole

C19H26N4O2S — CID 166911894

IUPAC4-[3-[2-(dimethylsulfinamoylamino)ethyl]-1-(2-methylpropyl)indol-6-yl]-1,2-oxazole
SMILESCC(C)Cn1cc(CCNS(=O)N(C)C)c2ccc(-c3cnoc3)cc21
InChIInChI=1S/C19H26N4O2S/c1-14(2)11-23-12-16(7-8-21-26(24)22(3)4)18-6-5-15(9-19(18)23)17-10-20-25-13-17/h5-6,9-10,12-14,21H,7-8,11H2,1-4H3
InChIKeyXJAYLPQMVLSFCD-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.22
Rot. Bonds8

About 4-[3-[2-(dimethylsulfinamoylamino)ethyl]-1-(2-methylpropyl)indol-6-yl]-1,2-oxazole

4-[3-[2-(dimethylsulfinamoylamino)ethyl]-1-(2-methylpropyl)indol-6-yl]-1,2-oxazole (PubChem CID 166911894) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-[3-[2-(dimethylsulfinamoylamino)ethyl]-1-(2-methylpropyl)indol-6-yl]-1,2-oxazole.

Molecular Properties

Compound Name4-[3-[2-(dimethylsulfinamoylamino)ethyl]-1-(2-methylpropyl)indol-6-yl]-1,2-oxazole
PubChem CID166911894
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name4-[3-[2-(dimethylsulfinamoylamino)ethyl]-1-(2-methylpropyl)indol-6-yl]-1,2-oxazole
SMILESCC(C)Cn1cc(CCNS(=O)N(C)C)c2ccc(-c3cnoc3)cc21
InChIInChI=1S/C19H26N4O2S/c1-14(2)11-23-12-16(7-8-21-26(24)22(3)4)18-6-5-15(9-19(18)23)17-10-20-25-13-17/h5-6,9-10,12-14,21H,7-8,11H2,1-4H3
InChIKeyXJAYLPQMVLSFCD-UHFFFAOYSA-N
XLogP3.22
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

N-(dimethylaminosulfanyl)-2-[6-(4-methylphenyl)-1-(2-methylpropyl)indol-3-yl]ethanamine
CID 166910851
1-benzyl-3-[2-(dimethylsulfinamoylamino)ethyl]-6-pyridin-4-ylindole
CID 166911686
2-[3-[2-(dimethylaminosulfanylamino)ethyl]-1-(2-methylpropyl)indol-6-yl]phenol
CID 166912187
N-(dimethylaminosulfanyl)-2-[6-(3-methoxyphenyl)-1-(2-methylpropyl)indol-3-yl]ethanamine
CID 166912168
N-(dimethylaminosulfanyl)-2-[1-(2-methylpropyl)-6-[4-(trifluoromethoxy)phenyl]indol-3-yl]ethanamine
CID 166911999
3-[2-(dimethylsulfamoylamino)ethyl]-6-(2-methoxyphenyl)-1-(2-methylpropyl)indole
CID 166911189
N,N-dimethyl-2-[1-(2-methylpropyl)-6-phenylindol-3-yl]ethanesulfonamide
CID 169304847
6-tert-butyl-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)indole
CID 166910693
3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-propylindole
CID 166912114
3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-[(2-methylpyrazol-3-yl)amino]indole
CID 166911075
2-[6-(4-methoxyphenyl)-1-(2-methylpropyl)indol-3-yl]ethanamine
CID 166911476
3-[3-(2-aminoethyl)-1-(2-methylpropyl)indol-6-yl]aniline
CID 166911852

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(dimethylsulfinamoylamino)ethyl]-1-(2-methylpropyl)indol-6-yl]-1,2-oxazole?
The IUPAC name of 4-[3-[2-(dimethylsulfinamoylamino)ethyl]-1-(2-methylpropyl)indol-6-yl]-1,2-oxazole (CID 166911894) is 4-[3-[2-(dimethylsulfinamoylamino)ethyl]-1-(2-methylpropyl)indol-6-yl]-1,2-oxazole.
What is the SMILES notation for 4-[3-[2-(dimethylsulfinamoylamino)ethyl]-1-(2-methylpropyl)indol-6-yl]-1,2-oxazole?
The canonical SMILES for 4-[3-[2-(dimethylsulfinamoylamino)ethyl]-1-(2-methylpropyl)indol-6-yl]-1,2-oxazole is CC(C)Cn1cc(CCNS(=O)N(C)C)c2ccc(-c3cnoc3)cc21.
What is the InChIKey of 4-[3-[2-(dimethylsulfinamoylamino)ethyl]-1-(2-methylpropyl)indol-6-yl]-1,2-oxazole?
The InChIKey is XJAYLPQMVLSFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-14(2)11-23-12-16(7-8-21-26(24)22(3)4)18-6-5-15(9-19(18)23)17-10-20-25-13-17/h5-6,9-10,12-14,21H,7-8,11H2,1-4H3.
What are the key properties of 4-[3-[2-(dimethylsulfinamoylamino)ethyl]-1-(2-methylpropyl)indol-6-yl]-1,2-oxazole?
4-[3-[2-(dimethylsulfinamoylamino)ethyl]-1-(2-methylpropyl)indol-6-yl]-1,2-oxazole has a molecular weight of 374.51 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(dimethylsulfinamoylamino)ethyl]-1-(2-methylpropyl)indol-6-yl]-1,2-oxazole is sourced from PubChem (CID 166911894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).