(2S,5R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,5-dimethylmorpholine

C17H23N3O4 — CID 94021559

IUPAC(2S,5R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,5-dimethylmorpholine
SMILESCOc1ccc(OCc2noc(CN3C[C@H](C)OC[C@H]3C)n2)cc1
InChIInChI=1S/C17H23N3O4/c1-12-10-22-13(2)8-20(12)9-17-18-16(19-24-17)11-23-15-6-4-14(21-3)5-7-15/h4-7,12-13H,8-11H2,1-3H3/t12-,13+/m1/s1
InChIKeySRWPGPKUKQOJHA-OLZOCXBDSA-N
MW333.39 g/mol
LogP2.27
Rot. Bonds6

About (2S,5R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,5-dimethylmorpholine

(2S,5R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,5-dimethylmorpholine (PubChem CID 94021559) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is (2S,5R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,5-dimethylmorpholine.

Molecular Properties

Compound Name(2S,5R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,5-dimethylmorpholine
PubChem CID94021559
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name(2S,5R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,5-dimethylmorpholine
SMILESCOc1ccc(OCc2noc(CN3C[C@H](C)OC[C@H]3C)n2)cc1
InChIInChI=1S/C17H23N3O4/c1-12-10-22-13(2)8-20(12)9-17-18-16(19-24-17)11-23-15-6-4-14(21-3)5-7-15/h4-7,12-13H,8-11H2,1-3H3/t12-,13+/m1/s1
InChIKeySRWPGPKUKQOJHA-OLZOCXBDSA-N
XLogP2.27
TPSA69.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,5-dimethylmorpholine?
The IUPAC name of (2S,5R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,5-dimethylmorpholine (CID 94021559) is (2S,5R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,5-dimethylmorpholine.
What is the SMILES notation for (2S,5R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,5-dimethylmorpholine?
The canonical SMILES for (2S,5R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,5-dimethylmorpholine is COc1ccc(OCc2noc(CN3C[C@H](C)OC[C@H]3C)n2)cc1.
What is the InChIKey of (2S,5R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,5-dimethylmorpholine?
The InChIKey is SRWPGPKUKQOJHA-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-12-10-22-13(2)8-20(12)9-17-18-16(19-24-17)11-23-15-6-4-14(21-3)5-7-15/h4-7,12-13H,8-11H2,1-3H3/t12-,13+/m1/s1.
What are the key properties of (2S,5R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,5-dimethylmorpholine?
(2S,5R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,5-dimethylmorpholine has a molecular weight of 333.39 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,5-dimethylmorpholine is sourced from PubChem (CID 94021559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).