2-methoxy-5-[[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]phenol

C20H21N3O4 — CID 97344248

IUPAC2-methoxy-5-[[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]phenol
SMILESCOc1ccc(CN2CCO[C@@H](c3noc(-c4ccccc4)n3)C2)cc1O
InChIInChI=1S/C20H21N3O4/c1-25-17-8-7-14(11-16(17)24)12-23-9-10-26-18(13-23)19-21-20(27-22-19)15-5-3-2-4-6-15/h2-8,11,18,24H,9-10,12-13H2,1H3/t18-/m1/s1
InChIKeyVXJQTDAHXVEWOZ-GOSISDBHSA-N
MW367.41 g/mol
LogP3.02
Rot. Bonds5

About 2-methoxy-5-[[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]phenol

2-methoxy-5-[[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]phenol (PubChem CID 97344248) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-methoxy-5-[[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]phenol
PubChem CID97344248
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-methoxy-5-[[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]phenol
SMILESCOc1ccc(CN2CCO[C@@H](c3noc(-c4ccccc4)n3)C2)cc1O
InChIInChI=1S/C20H21N3O4/c1-25-17-8-7-14(11-16(17)24)12-23-9-10-26-18(13-23)19-21-20(27-22-19)15-5-3-2-4-6-15/h2-8,11,18,24H,9-10,12-13H2,1H3/t18-/m1/s1
InChIKeyVXJQTDAHXVEWOZ-GOSISDBHSA-N
XLogP3.02
TPSA80.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]phenol?
The IUPAC name of 2-methoxy-5-[[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]phenol (CID 97344248) is 2-methoxy-5-[[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]phenol?
The canonical SMILES for 2-methoxy-5-[[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]phenol is COc1ccc(CN2CCO[C@@H](c3noc(-c4ccccc4)n3)C2)cc1O.
What is the InChIKey of 2-methoxy-5-[[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]phenol?
The InChIKey is VXJQTDAHXVEWOZ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-25-17-8-7-14(11-16(17)24)12-23-9-10-26-18(13-23)19-21-20(27-22-19)15-5-3-2-4-6-15/h2-8,11,18,24H,9-10,12-13H2,1H3/t18-/m1/s1.
What are the key properties of 2-methoxy-5-[[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]phenol?
2-methoxy-5-[[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]phenol has a molecular weight of 367.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]phenol is sourced from PubChem (CID 97344248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).