(2R)-2-(2-chloro-4-fluorophenyl)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine

C15H17ClFN3O3 — CID 124619834

IUPAC(2R)-2-(2-chloro-4-fluorophenyl)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESCOCc1noc(CN2CCO[C@H](c3ccc(F)cc3Cl)C2)n1
InChIInChI=1S/C15H17ClFN3O3/c1-21-9-14-18-15(23-19-14)8-20-4-5-22-13(7-20)11-3-2-10(17)6-12(11)16/h2-3,6,13H,4-5,7-9H2,1H3/t13-/m0/s1
InChIKeyJPLPIZYNRVRDCJ-ZDUSSCGKSA-N
MW341.77 g/mol
LogP2.58
Rot. Bonds5

About (2R)-2-(2-chloro-4-fluorophenyl)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine

(2R)-2-(2-chloro-4-fluorophenyl)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (PubChem CID 124619834) has the molecular formula C15H17ClFN3O3 and a molecular weight of 341.77 g/mol. Its IUPAC name is (2R)-2-(2-chloro-4-fluorophenyl)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-(2-chloro-4-fluorophenyl)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
PubChem CID124619834
Molecular FormulaC15H17ClFN3O3
Molecular Weight341.77 g/mol
Exact Mass341.09
IUPAC Name(2R)-2-(2-chloro-4-fluorophenyl)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESCOCc1noc(CN2CCO[C@H](c3ccc(F)cc3Cl)C2)n1
InChIInChI=1S/C15H17ClFN3O3/c1-21-9-14-18-15(23-19-14)8-20-4-5-22-13(7-20)11-3-2-10(17)6-12(11)16/h2-3,6,13H,4-5,7-9H2,1H3/t13-/m0/s1
InChIKeyJPLPIZYNRVRDCJ-ZDUSSCGKSA-N
XLogP2.58
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.77
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chloro-4-fluorophenyl)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The IUPAC name of (2R)-2-(2-chloro-4-fluorophenyl)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (CID 124619834) is (2R)-2-(2-chloro-4-fluorophenyl)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.
What is the SMILES notation for (2R)-2-(2-chloro-4-fluorophenyl)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The canonical SMILES for (2R)-2-(2-chloro-4-fluorophenyl)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is COCc1noc(CN2CCO[C@H](c3ccc(F)cc3Cl)C2)n1.
What is the InChIKey of (2R)-2-(2-chloro-4-fluorophenyl)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The InChIKey is JPLPIZYNRVRDCJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17ClFN3O3/c1-21-9-14-18-15(23-19-14)8-20-4-5-22-13(7-20)11-3-2-10(17)6-12(11)16/h2-3,6,13H,4-5,7-9H2,1H3/t13-/m0/s1.
What are the key properties of (2R)-2-(2-chloro-4-fluorophenyl)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
(2R)-2-(2-chloro-4-fluorophenyl)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine has a molecular weight of 341.77 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chloro-4-fluorophenyl)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is sourced from PubChem (CID 124619834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).