3,5-dimethyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-1,2-oxazole

C19H23N3O4S — CID 126951887

IUPAC3,5-dimethyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(Oc2cccc3c2ccn3C)CC1
InChIInChI=1S/C19H23N3O4S/c1-13-19(14(2)26-20-13)27(23,24)22-11-7-15(8-12-22)25-18-6-4-5-17-16(18)9-10-21(17)3/h4-6,9-10,15H,7-8,11-12H2,1-3H3
InChIKeyCDSKLBLTACVKBP-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.02
Rot. Bonds4

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

3,5-dimethyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-1,2-oxazole (PubChem CID 126951887) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 3,5-dimethyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-1,2-oxazole
PubChem CID126951887
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name3,5-dimethyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(Oc2cccc3c2ccn3C)CC1
InChIInChI=1S/C19H23N3O4S/c1-13-19(14(2)26-20-13)27(23,24)22-11-7-15(8-12-22)25-18-6-4-5-17-16(18)9-10-21(17)3/h4-6,9-10,15H,7-8,11-12H2,1-3H3
InChIKeyCDSKLBLTACVKBP-UHFFFAOYSA-N
XLogP3.02
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953374
4-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]oxy-1-methylindole
CID 126951893
4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine
CID 126951892
4-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 121017885
1-methyl-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]oxyindole
CID 126951890
3,5-dimethyl-4-[4-(1-methylindol-2-yl)piperidin-1-yl]sulfonyl-1,2-oxazole
CID 113088010
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 26545041
[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-(oxan-4-yl)methanone
CID 126951816
4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 90589443
3,5-dimethyl-4-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 100629745
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-thiophen-2-yl-1,4-thiazepane 1,1-dioxide
CID 121191681
3-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-1,2,5-thiadiazole
CID 126951949

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-1,2-oxazole (CID 126951887) is 3,5-dimethyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-1,2-oxazole is Cc1noc(C)c1S(=O)(=O)N1CCC(Oc2cccc3c2ccn3C)CC1.
What is the InChIKey of 3,5-dimethyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-1,2-oxazole?
The InChIKey is CDSKLBLTACVKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-13-19(14(2)26-20-13)27(23,24)22-11-7-15(8-12-22)25-18-6-4-5-17-16(18)9-10-21(17)3/h4-6,9-10,15H,7-8,11-12H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-1,2-oxazole?
3,5-dimethyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-1,2-oxazole has a molecular weight of 389.48 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-1,2-oxazole is sourced from PubChem (CID 126951887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).