(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

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

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Related Compounds

2-[[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]pyrimidin-4-amine
CID 124619849
(2R)-2-(2-chloro-4-fluorophenyl)-4-(1,3-thiazol-4-ylmethyl)morpholine
CID 124619828
(2S)-2-(2-chloro-4-fluorophenyl)-4-(thiadiazol-4-ylmethyl)morpholine
CID 124619492
(2S)-2-(4-fluorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 36874411
2-[(2S)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]ethanamine
CID 125436186
4-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(6-methoxynaphthalen-2-yl)morpholine
CID 56877898
5-[[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904693
(2R)-2-(2-chloro-4-fluorophenyl)-4-(2-ethylsulfonylethyl)morpholine
CID 124619802
(2R)-4-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97316109
4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)morpholine
CID 55566054
5-[[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]furan-3-carboxylic acid
CID 154746798
(2S)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-fluorophenyl)morpholine
CID 36875134

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).