5-[2-[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]ethyl]-2-methyl-1,3-oxazole

C24H31N3O2 — CID 126953064

IUPAC5-[2-[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]ethyl]-2-methyl-1,3-oxazole
SMILESCc1ncc(CCN2CCC(Oc3cccc4c3ccn4C3CCCC3)CC2)o1
InChIInChI=1S/C24H31N3O2/c1-18-25-17-21(28-18)11-15-26-13-9-20(10-14-26)29-24-8-4-7-23-22(24)12-16-27(23)19-5-2-3-6-19/h4,7-8,12,16-17,19-20H,2-3,5-6,9-11,13-15H2,1H3
InChIKeyPCDZRLJDLPHBQR-UHFFFAOYSA-N
MW393.53 g/mol
LogP5.14
Rot. Bonds6

About 5-[2-[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]ethyl]-2-methyl-1,3-oxazole

5-[2-[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]ethyl]-2-methyl-1,3-oxazole (PubChem CID 126953064) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 5-[2-[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]ethyl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-[2-[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]ethyl]-2-methyl-1,3-oxazole
PubChem CID126953064
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name5-[2-[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]ethyl]-2-methyl-1,3-oxazole
SMILESCc1ncc(CCN2CCC(Oc3cccc4c3ccn4C3CCCC3)CC2)o1
InChIInChI=1S/C24H31N3O2/c1-18-25-17-21(28-18)11-15-26-13-9-20(10-14-26)29-24-8-4-7-23-22(24)12-16-27(23)19-5-2-3-6-19/h4,7-8,12,16-17,19-20H,2-3,5-6,9-11,13-15H2,1H3
InChIKeyPCDZRLJDLPHBQR-UHFFFAOYSA-N
XLogP5.14
TPSA43.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]-2-methylpyridazin-3-one
CID 126953033
1-[2-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone
CID 126953078
[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 126952991
2-methyl-4-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazole
CID 126953191
2-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,2-thiazolidine 1,1-dioxide
CID 126953287
5-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126953260
4-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2-oxazole
CID 126953281
4-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole
CID 126953211
4-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole
CID 126952652
4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole
CID 126953177
1-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,4-diazepan-5-one
CID 126953288
N,N-dimethyl-3-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 126953222

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]ethyl]-2-methyl-1,3-oxazole?
The IUPAC name of 5-[2-[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]ethyl]-2-methyl-1,3-oxazole (CID 126953064) is 5-[2-[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]ethyl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 5-[2-[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]ethyl]-2-methyl-1,3-oxazole?
The canonical SMILES for 5-[2-[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]ethyl]-2-methyl-1,3-oxazole is Cc1ncc(CCN2CCC(Oc3cccc4c3ccn4C3CCCC3)CC2)o1.
What is the InChIKey of 5-[2-[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]ethyl]-2-methyl-1,3-oxazole?
The InChIKey is PCDZRLJDLPHBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18-25-17-21(28-18)11-15-26-13-9-20(10-14-26)29-24-8-4-7-23-22(24)12-16-27(23)19-5-2-3-6-19/h4,7-8,12,16-17,19-20H,2-3,5-6,9-11,13-15H2,1H3.
What are the key properties of 5-[2-[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]ethyl]-2-methyl-1,3-oxazole?
5-[2-[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]ethyl]-2-methyl-1,3-oxazole has a molecular weight of 393.53 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]ethyl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 126953064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).