5-[4-[[5-(1-propylazetidin-3-yl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,3-oxazole;hydrochloride

C23H26ClN3O3S — CID 68597377

IUPAC5-[4-[[5-(1-propylazetidin-3-yl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,3-oxazole;hydrochloride
SMILESCCCN1CC(c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(-c3cnco3)cc2)C1.Cl
InChIInChI=1S/C23H25N3O3S.ClH/c1-2-10-25-14-20(15-25)18-5-8-22-19(12-18)9-11-26(22)30(27,28)21-6-3-17(4-7-21)23-13-24-16-29-23;/h3-8,12-13,16,20H,2,9-11,14-15H2,1H3;1H
InChIKeyYLPOAZKTOLULKL-UHFFFAOYSA-N
MW460.00 g/mol
LogP4.32
Rot. Bonds6

About 5-[4-[[5-(1-propylazetidin-3-yl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,3-oxazole;hydrochloride

5-[4-[[5-(1-propylazetidin-3-yl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,3-oxazole;hydrochloride (PubChem CID 68597377) has the molecular formula C23H26ClN3O3S and a molecular weight of 460.00 g/mol. Its IUPAC name is 5-[4-[[5-(1-propylazetidin-3-yl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,3-oxazole;hydrochloride.

Molecular Properties

Compound Name5-[4-[[5-(1-propylazetidin-3-yl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,3-oxazole;hydrochloride
PubChem CID68597377
Molecular FormulaC23H26ClN3O3S
Molecular Weight460.00 g/mol
Exact Mass459.14
IUPAC Name5-[4-[[5-(1-propylazetidin-3-yl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,3-oxazole;hydrochloride
SMILESCCCN1CC(c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(-c3cnco3)cc2)C1.Cl
InChIInChI=1S/C23H25N3O3S.ClH/c1-2-10-25-14-20(15-25)18-5-8-22-19(12-18)9-11-26(22)30(27,28)21-6-3-17(4-7-21)23-13-24-16-29-23;/h3-8,12-13,16,20H,2,9-11,14-15H2,1H3;1H
InChIKeyYLPOAZKTOLULKL-UHFFFAOYSA-N
XLogP4.32
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.00
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[5-(1-propylazetidin-3-yl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,3-oxazole;hydrochloride?
The IUPAC name of 5-[4-[[5-(1-propylazetidin-3-yl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,3-oxazole;hydrochloride (CID 68597377) is 5-[4-[[5-(1-propylazetidin-3-yl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,3-oxazole;hydrochloride.
What is the SMILES notation for 5-[4-[[5-(1-propylazetidin-3-yl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,3-oxazole;hydrochloride?
The canonical SMILES for 5-[4-[[5-(1-propylazetidin-3-yl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,3-oxazole;hydrochloride is CCCN1CC(c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(-c3cnco3)cc2)C1.Cl.
What is the InChIKey of 5-[4-[[5-(1-propylazetidin-3-yl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,3-oxazole;hydrochloride?
The InChIKey is YLPOAZKTOLULKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S.ClH/c1-2-10-25-14-20(15-25)18-5-8-22-19(12-18)9-11-26(22)30(27,28)21-6-3-17(4-7-21)23-13-24-16-29-23;/h3-8,12-13,16,20H,2,9-11,14-15H2,1H3;1H.
What are the key properties of 5-[4-[[5-(1-propylazetidin-3-yl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,3-oxazole;hydrochloride?
5-[4-[[5-(1-propylazetidin-3-yl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,3-oxazole;hydrochloride has a molecular weight of 460.00 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[5-(1-propylazetidin-3-yl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,3-oxazole;hydrochloride is sourced from PubChem (CID 68597377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).