3-methyl-5-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole

C16H18F3N3O2 — CID 128970661

IUPAC3-methyl-5-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCc1noc(C2CCN(Cc3ccccc3OCC(F)(F)F)C2)n1
InChIInChI=1S/C16H18F3N3O2/c1-11-20-15(24-21-11)13-6-7-22(9-13)8-12-4-2-3-5-14(12)23-10-16(17,18)19/h2-5,13H,6-10H2,1H3
InChIKeyYJYNFXIIAVLVMO-UHFFFAOYSA-N
MW341.33 g/mol
LogP3.31
Rot. Bonds5

About 3-methyl-5-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole

3-methyl-5-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 128970661) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is 3-methyl-5-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
PubChem CID128970661
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC Name3-methyl-5-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCc1noc(C2CCN(Cc3ccccc3OCC(F)(F)F)C2)n1
InChIInChI=1S/C16H18F3N3O2/c1-11-20-15(24-21-11)13-6-7-22(9-13)8-12-4-2-3-5-14(12)23-10-16(17,18)19/h2-5,13H,6-10H2,1H3
InChIKeyYJYNFXIIAVLVMO-UHFFFAOYSA-N
XLogP3.31
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-5-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

2-(2-ethylphenoxy)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 154793854
5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 60565067
5-[1-[2-(2-chlorophenoxy)ethyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 128986563
5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 167968274
5-[(3R)-1-[(2-chloro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129346756
5-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 128971167
3-methyl-5-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 122152728
3-(2-methylphenyl)-5-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 110091590
3-tert-butyl-5-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 92552733
6-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
CID 92599770
5-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 51087893
3-methyl-5-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 128983203

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole (CID 128970661) is 3-methyl-5-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole is Cc1noc(C2CCN(Cc3ccccc3OCC(F)(F)F)C2)n1.
What is the InChIKey of 3-methyl-5-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is YJYNFXIIAVLVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c1-11-20-15(24-21-11)13-6-7-22(9-13)8-12-4-2-3-5-14(12)23-10-16(17,18)19/h2-5,13H,6-10H2,1H3.
What are the key properties of 3-methyl-5-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole?
3-methyl-5-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 341.33 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 128970661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).