5-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one

C21H21N3O5S — CID 126951964

IUPAC5-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
SMILESCn1ccc2c(OC3CCN(S(=O)(=O)c4ccc5oc(=O)[nH]c5c4)CC3)cccc21
InChIInChI=1S/C21H21N3O5S/c1-23-10-9-16-18(23)3-2-4-19(16)28-14-7-11-24(12-8-14)30(26,27)15-5-6-20-17(13-15)22-21(25)29-20/h2-6,9-10,13-14H,7-8,11-12H2,1H3,(H,22,25)
InChIKeyKZWROOVBNUGLIU-UHFFFAOYSA-N
MW427.48 g/mol
LogP2.84
Rot. Bonds4

About 5-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one

5-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one (PubChem CID 126951964) has the molecular formula C21H21N3O5S and a molecular weight of 427.48 g/mol. Its IUPAC name is 5-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
PubChem CID126951964
Molecular FormulaC21H21N3O5S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC Name5-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
SMILESCn1ccc2c(OC3CCN(S(=O)(=O)c4ccc5oc(=O)[nH]c5c4)CC3)cccc21
InChIInChI=1S/C21H21N3O5S/c1-23-10-9-16-18(23)3-2-4-19(16)28-14-7-11-24(12-8-14)30(26,27)15-5-6-20-17(13-15)22-21(25)29-20/h2-6,9-10,13-14H,7-8,11-12H2,1H3,(H,22,25)
InChIKeyKZWROOVBNUGLIU-UHFFFAOYSA-N
XLogP2.84
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(1-methylimidazol-2-yl)piperidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 72844155
4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine
CID 126951892
5-pyrrolidin-1-ylsulfonyl-3H-1,3-benzoxazol-2-one
CID 110760633
3,5-dimethyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-1,2-oxazole
CID 126951887
4-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]oxy-1-methylindole
CID 126951893
1-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonyl]piperidine-4-carboxylic acid
CID 146024901
1-methyl-4-(1-methylpiperidin-4-yl)oxyindole
CID 126952178
5-[[(7R)-7-phenyl-1,4-thiazepan-4-yl]sulfonyl]-3H-1,3-benzoxazol-2-one
CID 99884237
5-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 100630109
1-methyl-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]oxyindole
CID 126951890
5-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 119100430
5-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 95718316

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one (CID 126951964) is 5-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one is Cn1ccc2c(OC3CCN(S(=O)(=O)c4ccc5oc(=O)[nH]c5c4)CC3)cccc21.
What is the InChIKey of 5-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one?
The InChIKey is KZWROOVBNUGLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S/c1-23-10-9-16-18(23)3-2-4-19(16)28-14-7-11-24(12-8-14)30(26,27)15-5-6-20-17(13-15)22-21(25)29-20/h2-6,9-10,13-14H,7-8,11-12H2,1H3,(H,22,25).
What are the key properties of 5-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one?
5-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one has a molecular weight of 427.48 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 126951964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).