(2R,6R)-4-benzyl-2-[5-(5-ethyl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-6-methylmorpholine

C19H22N4O3 — CID 167807459

IUPAC(2R,6R)-4-benzyl-2-[5-(5-ethyl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-6-methylmorpholine
SMILESCCc1ocnc1-c1nnc([C@H]2CN(Cc3ccccc3)C[C@@H](C)O2)o1
InChIInChI=1S/C19H22N4O3/c1-3-15-17(20-12-24-15)19-22-21-18(26-19)16-11-23(9-13(2)25-16)10-14-7-5-4-6-8-14/h4-8,12-13,16H,3,9-11H2,1-2H3/t13-,16-/m1/s1
InChIKeyMAVCJMKIIFXSKZ-CZUORRHYSA-N
MW354.41 g/mol
LogP3.25
Rot. Bonds5

About (2R,6R)-4-benzyl-2-[5-(5-ethyl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-6-methylmorpholine

(2R,6R)-4-benzyl-2-[5-(5-ethyl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-6-methylmorpholine (PubChem CID 167807459) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is (2R,6R)-4-benzyl-2-[5-(5-ethyl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-6-methylmorpholine.

Molecular Properties

Compound Name(2R,6R)-4-benzyl-2-[5-(5-ethyl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-6-methylmorpholine
PubChem CID167807459
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name(2R,6R)-4-benzyl-2-[5-(5-ethyl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-6-methylmorpholine
SMILESCCc1ocnc1-c1nnc([C@H]2CN(Cc3ccccc3)C[C@@H](C)O2)o1
InChIInChI=1S/C19H22N4O3/c1-3-15-17(20-12-24-15)19-22-21-18(26-19)16-11-23(9-13(2)25-16)10-14-7-5-4-6-8-14/h4-8,12-13,16H,3,9-11H2,1-2H3/t13-,16-/m1/s1
InChIKeyMAVCJMKIIFXSKZ-CZUORRHYSA-N
XLogP3.25
TPSA77.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-benzyl-2-[5-(5-ethyl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-6-methylmorpholine?
The IUPAC name of (2R,6R)-4-benzyl-2-[5-(5-ethyl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-6-methylmorpholine (CID 167807459) is (2R,6R)-4-benzyl-2-[5-(5-ethyl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-6-methylmorpholine.
What is the SMILES notation for (2R,6R)-4-benzyl-2-[5-(5-ethyl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-6-methylmorpholine?
The canonical SMILES for (2R,6R)-4-benzyl-2-[5-(5-ethyl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-6-methylmorpholine is CCc1ocnc1-c1nnc([C@H]2CN(Cc3ccccc3)C[C@@H](C)O2)o1.
What is the InChIKey of (2R,6R)-4-benzyl-2-[5-(5-ethyl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-6-methylmorpholine?
The InChIKey is MAVCJMKIIFXSKZ-CZUORRHYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-3-15-17(20-12-24-15)19-22-21-18(26-19)16-11-23(9-13(2)25-16)10-14-7-5-4-6-8-14/h4-8,12-13,16H,3,9-11H2,1-2H3/t13-,16-/m1/s1.
What are the key properties of (2R,6R)-4-benzyl-2-[5-(5-ethyl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-6-methylmorpholine?
(2R,6R)-4-benzyl-2-[5-(5-ethyl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-6-methylmorpholine has a molecular weight of 354.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-benzyl-2-[5-(5-ethyl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-6-methylmorpholine is sourced from PubChem (CID 167807459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).