4-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2-oxazole

C21H25N3O3 — CID 126953281

IUPAC4-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2-oxazole
SMILESc1cc(OC2CCN(Cc3cnoc3)CC2)c2ccn(C3CCOC3)c2c1
InChIInChI=1S/C21H25N3O3/c1-2-20-19(6-10-24(20)17-7-11-25-15-17)21(3-1)27-18-4-8-23(9-5-18)13-16-12-22-26-14-16/h1-3,6,10,12,14,17-18H,4-5,7-9,11,13,15H2
InChIKeyCICMPASTRAMYOJ-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.63
Rot. Bonds5

About 4-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2-oxazole

4-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2-oxazole (PubChem CID 126953281) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name4-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2-oxazole
PubChem CID126953281
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name4-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2-oxazole
SMILESc1cc(OC2CCN(Cc3cnoc3)CC2)c2ccn(C3CCOC3)c2c1
InChIInChI=1S/C21H25N3O3/c1-2-20-19(6-10-24(20)17-7-11-25-15-17)21(3-1)27-18-4-8-23(9-5-18)13-16-12-22-26-14-16/h1-3,6,10,12,14,17-18H,4-5,7-9,11,13,15H2
InChIKeyCICMPASTRAMYOJ-UHFFFAOYSA-N
XLogP3.63
TPSA52.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126953260
2-methyl-4-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazole
CID 126953191
N,N-dimethyl-3-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 126953222
1-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,4-diazepan-5-one
CID 126953288
2-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,2-thiazolidine 1,1-dioxide
CID 126953287
4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole
CID 126953177
4-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole
CID 126953211
4-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole
CID 126953313
2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]pyridine-3-carbonitrile
CID 126953172
5-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]-2-methylpyridazin-3-one
CID 126953033
(2,5-dimethylpyrazol-3-yl)-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methanone
CID 126953150
5-[2-[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]ethyl]-2-methyl-1,3-oxazole
CID 126953064

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 4-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2-oxazole (CID 126953281) is 4-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 4-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 4-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2-oxazole is c1cc(OC2CCN(Cc3cnoc3)CC2)c2ccn(C3CCOC3)c2c1.
What is the InChIKey of 4-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is CICMPASTRAMYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-2-20-19(6-10-24(20)17-7-11-25-15-17)21(3-1)27-18-4-8-23(9-5-18)13-16-12-22-26-14-16/h1-3,6,10,12,14,17-18H,4-5,7-9,11,13,15H2.
What are the key properties of 4-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2-oxazole?
4-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 367.45 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 126953281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).