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

C15H18ClN3O2 — CID 51294713

IUPAC4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylmorpholine
SMILESCC1CN(C(C)c2nnc(-c3cccc(Cl)c3)o2)CCO1
InChIInChI=1S/C15H18ClN3O2/c1-10-9-19(6-7-20-10)11(2)14-17-18-15(21-14)12-4-3-5-13(16)8-12/h3-5,8,10-11H,6-7,9H2,1-2H3
InChIKeyJTICEUJUHMVNHH-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.17
Rot. Bonds3

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

4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylmorpholine (PubChem CID 51294713) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylmorpholine
PubChem CID51294713
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylmorpholine
SMILESCC1CN(C(C)c2nnc(-c3cccc(Cl)c3)o2)CCO1
InChIInChI=1S/C15H18ClN3O2/c1-10-9-19(6-7-20-10)11(2)14-17-18-15(21-14)12-4-3-5-13(16)8-12/h3-5,8,10-11H,6-7,9H2,1-2H3
InChIKeyJTICEUJUHMVNHH-UHFFFAOYSA-N
XLogP3.17
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylmorpholine?
The IUPAC name of 4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylmorpholine (CID 51294713) is 4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylmorpholine.
What is the SMILES notation for 4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylmorpholine?
The canonical SMILES for 4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylmorpholine is CC1CN(C(C)c2nnc(-c3cccc(Cl)c3)o2)CCO1.
What is the InChIKey of 4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylmorpholine?
The InChIKey is JTICEUJUHMVNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-10-9-19(6-7-20-10)11(2)14-17-18-15(21-14)12-4-3-5-13(16)8-12/h3-5,8,10-11H,6-7,9H2,1-2H3.
What are the key properties of 4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylmorpholine?
4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylmorpholine has a molecular weight of 307.78 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylmorpholine is sourced from PubChem (CID 51294713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).