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

C17H19N5O3 — CID 154761960

IUPAC(2R,6R)-2,4-dimethyl-6-[5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3,4-oxadiazol-2-yl]morpholine
SMILESCc1noc(-c2ccccc2-c2nnc([C@H]3CN(C)C[C@@H](C)O3)o2)n1
InChIInChI=1S/C17H19N5O3/c1-10-8-22(3)9-14(23-10)17-20-19-16(24-17)13-7-5-4-6-12(13)15-18-11(2)21-25-15/h4-7,10,14H,8-9H2,1-3H3/t10-,14-/m1/s1
InChIKeySMXSMOOPTVQLGG-QMTHXVAHSA-N
MW341.37 g/mol
LogP2.49
Rot. Bonds3

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

(2R,6R)-2,4-dimethyl-6-[5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3,4-oxadiazol-2-yl]morpholine (PubChem CID 154761960) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is (2R,6R)-2,4-dimethyl-6-[5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3,4-oxadiazol-2-yl]morpholine.

Molecular Properties

Compound Name(2R,6R)-2,4-dimethyl-6-[5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3,4-oxadiazol-2-yl]morpholine
PubChem CID154761960
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name(2R,6R)-2,4-dimethyl-6-[5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3,4-oxadiazol-2-yl]morpholine
SMILESCc1noc(-c2ccccc2-c2nnc([C@H]3CN(C)C[C@@H](C)O3)o2)n1
InChIInChI=1S/C17H19N5O3/c1-10-8-22(3)9-14(23-10)17-20-19-16(24-17)13-7-5-4-6-12(13)15-18-11(2)21-25-15/h4-7,10,14H,8-9H2,1-3H3/t10-,14-/m1/s1
InChIKeySMXSMOOPTVQLGG-QMTHXVAHSA-N
XLogP2.49
TPSA90.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,4-dimethyl-6-[5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3,4-oxadiazol-2-yl]morpholine?
The IUPAC name of (2R,6R)-2,4-dimethyl-6-[5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3,4-oxadiazol-2-yl]morpholine (CID 154761960) is (2R,6R)-2,4-dimethyl-6-[5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3,4-oxadiazol-2-yl]morpholine.
What is the SMILES notation for (2R,6R)-2,4-dimethyl-6-[5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3,4-oxadiazol-2-yl]morpholine?
The canonical SMILES for (2R,6R)-2,4-dimethyl-6-[5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3,4-oxadiazol-2-yl]morpholine is Cc1noc(-c2ccccc2-c2nnc([C@H]3CN(C)C[C@@H](C)O3)o2)n1.
What is the InChIKey of (2R,6R)-2,4-dimethyl-6-[5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3,4-oxadiazol-2-yl]morpholine?
The InChIKey is SMXSMOOPTVQLGG-QMTHXVAHSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-10-8-22(3)9-14(23-10)17-20-19-16(24-17)13-7-5-4-6-12(13)15-18-11(2)21-25-15/h4-7,10,14H,8-9H2,1-3H3/t10-,14-/m1/s1.
What are the key properties of (2R,6R)-2,4-dimethyl-6-[5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3,4-oxadiazol-2-yl]morpholine?
(2R,6R)-2,4-dimethyl-6-[5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3,4-oxadiazol-2-yl]morpholine has a molecular weight of 341.37 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,4-dimethyl-6-[5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3,4-oxadiazol-2-yl]morpholine is sourced from PubChem (CID 154761960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).