4-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole

C20H23F2N3O2 — CID 126952881

IUPAC4-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCc1ocnc1CN1CCC(Oc2cccc3c2ccn3CC(F)F)CC1
InChIInChI=1S/C20H23F2N3O2/c1-14-17(23-13-26-14)11-24-8-5-15(6-9-24)27-19-4-2-3-18-16(19)7-10-25(18)12-20(21)22/h2-4,7,10,13,15,20H,5-6,8-9,11-12H2,1H3
InChIKeyGKSAEVXXZMJQKQ-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.25
Rot. Bonds6

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

4-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole (PubChem CID 126952881) has the molecular formula C20H23F2N3O2 and a molecular weight of 375.42 g/mol. Its IUPAC name is 4-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole
PubChem CID126952881
Molecular FormulaC20H23F2N3O2
Molecular Weight375.42 g/mol
Exact Mass375.18
IUPAC Name4-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCc1ocnc1CN1CCC(Oc2cccc3c2ccn3CC(F)F)CC1
InChIInChI=1S/C20H23F2N3O2/c1-14-17(23-13-26-14)11-24-8-5-15(6-9-24)27-19-4-2-3-18-16(19)7-10-25(18)12-20(21)22/h2-4,7,10,13,15,20H,5-6,8-9,11-12H2,1H3
InChIKeyGKSAEVXXZMJQKQ-UHFFFAOYSA-N
XLogP4.25
TPSA43.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole with MolForge

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Related Compounds

5-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126952873
2-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 126952869
1-(2,2-difluoroethyl)-4-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)piperidin-4-yl]oxyindole
CID 126952840
5-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]pyrazine-2-carbonitrile
CID 126952930
4-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,3-oxazole
CID 126952428
6-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpiperidin-2-one
CID 126952834
4-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]oxy-1-(2,2-difluoroethyl)indole
CID 126952819
[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-pyrazin-2-ylmethanone
CID 126952735
6-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 126952728
6-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one
CID 126952953
2-[4-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953420
1-(2,2-difluoroethyl)-4-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]oxyindole
CID 126952788

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 4-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole (CID 126952881) is 4-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 4-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 4-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole is Cc1ocnc1CN1CCC(Oc2cccc3c2ccn3CC(F)F)CC1.
What is the InChIKey of 4-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The InChIKey is GKSAEVXXZMJQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O2/c1-14-17(23-13-26-14)11-24-8-5-15(6-9-24)27-19-4-2-3-18-16(19)7-10-25(18)12-20(21)22/h2-4,7,10,13,15,20H,5-6,8-9,11-12H2,1H3.
What are the key properties of 4-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
4-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole has a molecular weight of 375.42 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 126952881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).