3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one

C13H20N2O4 — CID 81209406

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CCOC(CO)C1
InChIInChI=1S/C13H20N2O4/c1-9-12(10(2)19-14-9)3-4-13(17)15-5-6-18-11(7-15)8-16/h11,16H,3-8H2,1-2H3
InChIKeyHUXZVKWHYCGDLM-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.44
Rot. Bonds4

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one (PubChem CID 81209406) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
PubChem CID81209406
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CCOC(CO)C1
InChIInChI=1S/C13H20N2O4/c1-9-12(10(2)19-14-9)3-4-13(17)15-5-6-18-11(7-15)8-16/h11,16H,3-8H2,1-2H3
InChIKeyHUXZVKWHYCGDLM-UHFFFAOYSA-N
XLogP0.44
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one (CID 81209406) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one is Cc1noc(C)c1CCC(=O)N1CCOC(CO)C1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one?
The InChIKey is HUXZVKWHYCGDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-9-12(10(2)19-14-9)3-4-13(17)15-5-6-18-11(7-15)8-16/h11,16H,3-8H2,1-2H3.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one has a molecular weight of 268.31 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 81209406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).