(2R,6R)-2,4-dimethyl-6-[5-(2-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]morpholine

C18H24N4O3 — CID 167770119

IUPAC(2R,6R)-2,4-dimethyl-6-[5-(2-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]morpholine
SMILESC[C@@H]1CN(C)C[C@H](c2nnc(-c3ccccc3N3CCOCC3)o2)O1
InChIInChI=1S/C18H24N4O3/c1-13-11-21(2)12-16(24-13)18-20-19-17(25-18)14-5-3-4-6-15(14)22-7-9-23-10-8-22/h3-6,13,16H,7-12H2,1-2H3/t13-,16-/m1/s1
InChIKeyDYUZXRRLJUQXFJ-CZUORRHYSA-N
MW344.42 g/mol
LogP1.96
Rot. Bonds3

About (2R,6R)-2,4-dimethyl-6-[5-(2-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]morpholine

(2R,6R)-2,4-dimethyl-6-[5-(2-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]morpholine (PubChem CID 167770119) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (2R,6R)-2,4-dimethyl-6-[5-(2-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]morpholine.

Molecular Properties

Compound Name(2R,6R)-2,4-dimethyl-6-[5-(2-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]morpholine
PubChem CID167770119
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(2R,6R)-2,4-dimethyl-6-[5-(2-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]morpholine
SMILESC[C@@H]1CN(C)C[C@H](c2nnc(-c3ccccc3N3CCOCC3)o2)O1
InChIInChI=1S/C18H24N4O3/c1-13-11-21(2)12-16(24-13)18-20-19-17(25-18)14-5-3-4-6-15(14)22-7-9-23-10-8-22/h3-6,13,16H,7-12H2,1-2H3/t13-,16-/m1/s1
InChIKeyDYUZXRRLJUQXFJ-CZUORRHYSA-N
XLogP1.96
TPSA63.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,4-dimethyl-6-[5-(2-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]morpholine?
The IUPAC name of (2R,6R)-2,4-dimethyl-6-[5-(2-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]morpholine (CID 167770119) is (2R,6R)-2,4-dimethyl-6-[5-(2-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]morpholine.
What is the SMILES notation for (2R,6R)-2,4-dimethyl-6-[5-(2-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]morpholine?
The canonical SMILES for (2R,6R)-2,4-dimethyl-6-[5-(2-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]morpholine is C[C@@H]1CN(C)C[C@H](c2nnc(-c3ccccc3N3CCOCC3)o2)O1.
What is the InChIKey of (2R,6R)-2,4-dimethyl-6-[5-(2-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]morpholine?
The InChIKey is DYUZXRRLJUQXFJ-CZUORRHYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13-11-21(2)12-16(24-13)18-20-19-17(25-18)14-5-3-4-6-15(14)22-7-9-23-10-8-22/h3-6,13,16H,7-12H2,1-2H3/t13-,16-/m1/s1.
What are the key properties of (2R,6R)-2,4-dimethyl-6-[5-(2-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]morpholine?
(2R,6R)-2,4-dimethyl-6-[5-(2-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]morpholine has a molecular weight of 344.42 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,4-dimethyl-6-[5-(2-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]morpholine is sourced from PubChem (CID 167770119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).