2-(4-chlorophenyl)-4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine

C16H20ClN3O2 — CID 47054230

IUPAC2-(4-chlorophenyl)-4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
SMILESCCc1noc(C(C)N2CCOC(c3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C16H20ClN3O2/c1-3-15-18-16(22-19-15)11(2)20-8-9-21-14(10-20)12-4-6-13(17)7-5-12/h4-7,11,14H,3,8-10H2,1-2H3
InChIKeyMHXXIPMKKZAMKS-UHFFFAOYSA-N
MW321.81 g/mol
LogP3.42
Rot. Bonds4

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

2-(4-chlorophenyl)-4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine (PubChem CID 47054230) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
PubChem CID47054230
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name2-(4-chlorophenyl)-4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
SMILESCCc1noc(C(C)N2CCOC(c3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C16H20ClN3O2/c1-3-15-18-16(22-19-15)11(2)20-8-9-21-14(10-20)12-4-6-13(17)7-5-12/h4-7,11,14H,3,8-10H2,1-2H3
InChIKeyMHXXIPMKKZAMKS-UHFFFAOYSA-N
XLogP3.42
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine?
The IUPAC name of 2-(4-chlorophenyl)-4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine (CID 47054230) is 2-(4-chlorophenyl)-4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine?
The canonical SMILES for 2-(4-chlorophenyl)-4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine is CCc1noc(C(C)N2CCOC(c3ccc(Cl)cc3)C2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine?
The InChIKey is MHXXIPMKKZAMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-3-15-18-16(22-19-15)11(2)20-8-9-21-14(10-20)12-4-6-13(17)7-5-12/h4-7,11,14H,3,8-10H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine?
2-(4-chlorophenyl)-4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine has a molecular weight of 321.81 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine is sourced from PubChem (CID 47054230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).