(6R)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine

C18H23FN2O3 — CID 129483204

IUPAC(6R)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
SMILESCOC[C@H]1CN(Cc2ncc(-c3ccccc3F)o2)CC(C)(C)O1
InChIInChI=1S/C18H23FN2O3/c1-18(2)12-21(9-13(24-18)11-22-3)10-17-20-8-16(23-17)14-6-4-5-7-15(14)19/h4-8,13H,9-12H2,1-3H3/t13-/m1/s1
InChIKeyRMCBUKIADXXWQU-CYBMUJFWSA-N
MW334.39 g/mol
LogP3.11
Rot. Bonds5

About (6R)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine

(6R)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine (PubChem CID 129483204) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is (6R)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name(6R)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
PubChem CID129483204
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name(6R)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
SMILESCOC[C@H]1CN(Cc2ncc(-c3ccccc3F)o2)CC(C)(C)O1
InChIInChI=1S/C18H23FN2O3/c1-18(2)12-21(9-13(24-18)11-22-3)10-17-20-8-16(23-17)14-6-4-5-7-15(14)19/h4-8,13H,9-12H2,1-3H3/t13-/m1/s1
InChIKeyRMCBUKIADXXWQU-CYBMUJFWSA-N
XLogP3.11
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6R)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine?
The IUPAC name of (6R)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine (CID 129483204) is (6R)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine.
What is the SMILES notation for (6R)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine?
The canonical SMILES for (6R)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine is COC[C@H]1CN(Cc2ncc(-c3ccccc3F)o2)CC(C)(C)O1.
What is the InChIKey of (6R)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine?
The InChIKey is RMCBUKIADXXWQU-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-18(2)12-21(9-13(24-18)11-22-3)10-17-20-8-16(23-17)14-6-4-5-7-15(14)19/h4-8,13H,9-12H2,1-3H3/t13-/m1/s1.
What are the key properties of (6R)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine?
(6R)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine has a molecular weight of 334.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine is sourced from PubChem (CID 129483204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).