5-[1-[2-(2-chlorophenoxy)ethyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole

C15H18ClN3O2 — CID 128986563

IUPAC5-[1-[2-(2-chlorophenoxy)ethyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCN(CCOc3ccccc3Cl)C2)n1
InChIInChI=1S/C15H18ClN3O2/c1-11-17-15(21-18-11)12-6-7-19(10-12)8-9-20-14-5-3-2-4-13(14)16/h2-5,12H,6-10H2,1H3
InChIKeyFXIFIWUSBRWYFZ-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.90
Rot. Bonds5

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

5-[1-[2-(2-chlorophenoxy)ethyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 128986563) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 5-[1-[2-(2-chlorophenoxy)ethyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[2-(2-chlorophenoxy)ethyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID128986563
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name5-[1-[2-(2-chlorophenoxy)ethyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCN(CCOc3ccccc3Cl)C2)n1
InChIInChI=1S/C15H18ClN3O2/c1-11-17-15(21-18-11)12-6-7-19(10-12)8-9-20-14-5-3-2-4-13(14)16/h2-5,12H,6-10H2,1H3
InChIKeyFXIFIWUSBRWYFZ-UHFFFAOYSA-N
XLogP2.90
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2S)-4-[2-(2-chlorophenoxy)ethyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129351338
5-[1-[2-(4-chlorophenoxy)ethyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 60525893
5-[(3R)-1-[3-(3-chlorophenoxy)propyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 95149279
5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 60565067
(3R)-1-[2-(2-chlorophenoxy)ethyl]-3-(methoxymethyl)pyrrolidine
CID 29088010
3-methyl-5-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 128970661
3-methyl-5-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 122152728
2-(2-chlorophenyl)-5-[[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 129351660
5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 167968274
[2-(2-methoxyethoxy)phenyl]-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129351811
5-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 51087893
(3R)-1-[2-(2-chlorophenoxy)ethyl]piperidin-3-amine
CID 102977398

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(2-chlorophenoxy)ethyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[2-(2-chlorophenoxy)ethyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole (CID 128986563) is 5-[1-[2-(2-chlorophenoxy)ethyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[2-(2-chlorophenoxy)ethyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[2-(2-chlorophenoxy)ethyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc(C2CCN(CCOc3ccccc3Cl)C2)n1.
What is the InChIKey of 5-[1-[2-(2-chlorophenoxy)ethyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is FXIFIWUSBRWYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-11-17-15(21-18-11)12-6-7-19(10-12)8-9-20-14-5-3-2-4-13(14)16/h2-5,12H,6-10H2,1H3.
What are the key properties of 5-[1-[2-(2-chlorophenoxy)ethyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
5-[1-[2-(2-chlorophenoxy)ethyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 307.78 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(2-chlorophenoxy)ethyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 128986563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).