[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone

C17H22N2O4 — CID 129484739

IUPAC[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone
SMILESCOC[C@H]1CN(C(=O)c2ccc3oc(C)nc3c2)CC(C)(C)O1
InChIInChI=1S/C17H22N2O4/c1-11-18-14-7-12(5-6-15(14)22-11)16(20)19-8-13(9-21-4)23-17(2,3)10-19/h5-7,13H,8-10H2,1-4H3/t13-/m1/s1
InChIKeyDKXUUSHZXMKRCA-CYBMUJFWSA-N
MW318.37 g/mol
LogP2.40
Rot. Bonds3

About [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone

[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone (PubChem CID 129484739) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone.

Molecular Properties

Compound Name[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone
PubChem CID129484739
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone
SMILESCOC[C@H]1CN(C(=O)c2ccc3oc(C)nc3c2)CC(C)(C)O1
InChIInChI=1S/C17H22N2O4/c1-11-18-14-7-12(5-6-15(14)22-11)16(20)19-8-13(9-21-4)23-17(2,3)10-19/h5-7,13H,8-10H2,1-4H3/t13-/m1/s1
InChIKeyDKXUUSHZXMKRCA-CYBMUJFWSA-N
XLogP2.40
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone?
The IUPAC name of [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone (CID 129484739) is [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone.
What is the SMILES notation for [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone?
The canonical SMILES for [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone is COC[C@H]1CN(C(=O)c2ccc3oc(C)nc3c2)CC(C)(C)O1.
What is the InChIKey of [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone?
The InChIKey is DKXUUSHZXMKRCA-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-11-18-14-7-12(5-6-15(14)22-11)16(20)19-8-13(9-21-4)23-17(2,3)10-19/h5-7,13H,8-10H2,1-4H3/t13-/m1/s1.
What are the key properties of [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone?
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone has a molecular weight of 318.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone is sourced from PubChem (CID 129484739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).