(2R,3S)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine

C15H19N3O4 — CID 120955679

IUPAC(2R,3S)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine
SMILESCOc1ccc(-c2noc([C@H]3NCCO[C@@H]3C)n2)cc1OC
InChIInChI=1S/C15H19N3O4/c1-9-13(16-6-7-21-9)15-17-14(18-22-15)10-4-5-11(19-2)12(8-10)20-3/h4-5,8-9,13,16H,6-7H2,1-3H3/t9-,13+/m1/s1
InChIKeyGIKUZMRHLFYLAX-RNCFNFMXSA-N
MW305.33 g/mol
LogP1.80
Rot. Bonds4

About (2R,3S)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine

(2R,3S)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine (PubChem CID 120955679) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is (2R,3S)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine.

Molecular Properties

Compound Name(2R,3S)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine
PubChem CID120955679
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name(2R,3S)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine
SMILESCOc1ccc(-c2noc([C@H]3NCCO[C@@H]3C)n2)cc1OC
InChIInChI=1S/C15H19N3O4/c1-9-13(16-6-7-21-9)15-17-14(18-22-15)10-4-5-11(19-2)12(8-10)20-3/h4-5,8-9,13,16H,6-7H2,1-3H3/t9-,13+/m1/s1
InChIKeyGIKUZMRHLFYLAX-RNCFNFMXSA-N
XLogP1.80
TPSA78.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3S)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine
CID 120955592
3-(3,4-dimethoxyphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 93251332
2-methoxy-4-[5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 136880687
(2R,3S)-2-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 120955597
5-cyclohexyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 957265
3-(3,4-dimethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43625533
3-(3-bromo-4-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 106950830
3-(4-fluoro-3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 82626483
1-(3,4-dimethoxyphenyl)-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 16955942
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylmorpholine
CID 122236512
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 16955927
3-(4-methoxy-3-methylphenyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 82904694

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine?
The IUPAC name of (2R,3S)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine (CID 120955679) is (2R,3S)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine.
What is the SMILES notation for (2R,3S)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine?
The canonical SMILES for (2R,3S)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine is COc1ccc(-c2noc([C@H]3NCCO[C@@H]3C)n2)cc1OC.
What is the InChIKey of (2R,3S)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine?
The InChIKey is GIKUZMRHLFYLAX-RNCFNFMXSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-9-13(16-6-7-21-9)15-17-14(18-22-15)10-4-5-11(19-2)12(8-10)20-3/h4-5,8-9,13,16H,6-7H2,1-3H3/t9-,13+/m1/s1.
What are the key properties of (2R,3S)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine?
(2R,3S)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine has a molecular weight of 305.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine is sourced from PubChem (CID 120955679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).