(2S)-4-[2-(3-chlorophenoxy)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine

C15H18ClN3O3 — CID 97316174

IUPAC(2S)-4-[2-(3-chlorophenoxy)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
SMILESCc1nc([C@@H]2CN(CCOc3cccc(Cl)c3)CCO2)no1
InChIInChI=1S/C15H18ClN3O3/c1-11-17-15(18-22-11)14-10-19(6-8-21-14)5-7-20-13-4-2-3-12(16)9-13/h2-4,9,14H,5-8,10H2,1H3/t14-/m0/s1
InChIKeyDHTGFGZKOXUEBQ-AWEZNQCLSA-N
MW323.78 g/mol
LogP2.48
Rot. Bonds5

About (2S)-4-[2-(3-chlorophenoxy)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine

(2S)-4-[2-(3-chlorophenoxy)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine (PubChem CID 97316174) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is (2S)-4-[2-(3-chlorophenoxy)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-[2-(3-chlorophenoxy)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
PubChem CID97316174
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Name(2S)-4-[2-(3-chlorophenoxy)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
SMILESCc1nc([C@@H]2CN(CCOc3cccc(Cl)c3)CCO2)no1
InChIInChI=1S/C15H18ClN3O3/c1-11-17-15(18-22-11)14-10-19(6-8-21-14)5-7-20-13-4-2-3-12(16)9-13/h2-4,9,14H,5-8,10H2,1H3/t14-/m0/s1
InChIKeyDHTGFGZKOXUEBQ-AWEZNQCLSA-N
XLogP2.48
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[2-(2-methylphenoxy)ethyl]morpholine
CID 97316172
(2S)-4-[3-(3-chlorophenoxy)propyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine
CID 95780268
4-[2-(4-methoxyphenyl)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 75480253
2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(3-methylphenyl)methyl]morpholine
CID 75482031
(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97316136
(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[3-(2-methylphenyl)propyl]morpholine
CID 97320099
(2R)-4-(2-methoxyethyl)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97344588
(2R)-4-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97316109
(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[[4-(trifluoromethoxy)phenyl]methyl]morpholine
CID 97316176
2-[(3-chlorophenoxy)methyl]-4-methylmorpholine
CID 71048945
2-methyl-4-[2-(3-methylphenoxy)ethyl]morpholine
CID 134055131
(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine
CID 97316076

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-(3-chlorophenoxy)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
The IUPAC name of (2S)-4-[2-(3-chlorophenoxy)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine (CID 97316174) is (2S)-4-[2-(3-chlorophenoxy)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine.
What is the SMILES notation for (2S)-4-[2-(3-chlorophenoxy)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
The canonical SMILES for (2S)-4-[2-(3-chlorophenoxy)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine is Cc1nc([C@@H]2CN(CCOc3cccc(Cl)c3)CCO2)no1.
What is the InChIKey of (2S)-4-[2-(3-chlorophenoxy)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
The InChIKey is DHTGFGZKOXUEBQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c1-11-17-15(18-22-11)14-10-19(6-8-21-14)5-7-20-13-4-2-3-12(16)9-13/h2-4,9,14H,5-8,10H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-4-[2-(3-chlorophenoxy)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
(2S)-4-[2-(3-chlorophenoxy)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine has a molecular weight of 323.78 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-(3-chlorophenoxy)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine is sourced from PubChem (CID 97316174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).