[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone

C15H24N2O4 — CID 114778454

IUPAC[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C(C)C)c1C(=O)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C15H24N2O4/c1-9(2)13-12(10(3)16-21-13)14(19)17-6-11(7-18)20-15(4,5)8-17/h9,11,18H,6-8H2,1-5H3
InChIKeyXFJRPASLKIGRJT-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.72
Rot. Bonds3

About [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone

[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone (PubChem CID 114778454) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
PubChem CID114778454
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C(C)C)c1C(=O)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C15H24N2O4/c1-9(2)13-12(10(3)16-21-13)14(19)17-6-11(7-18)20-15(4,5)8-17/h9,11,18H,6-8H2,1-5H3
InChIKeyXFJRPASLKIGRJT-UHFFFAOYSA-N
XLogP1.72
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone (CID 114778454) is [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone is Cc1noc(C(C)C)c1C(=O)N1CC(CO)OC(C)(C)C1.
What is the InChIKey of [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone?
The InChIKey is XFJRPASLKIGRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-9(2)13-12(10(3)16-21-13)14(19)17-6-11(7-18)20-15(4,5)8-17/h9,11,18H,6-8H2,1-5H3.
What are the key properties of [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone?
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone has a molecular weight of 296.37 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 114778454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).