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

C10H14N2O4 — CID 71785829

IUPAC[3-(hydroxymethyl)morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCOCC2CO)no1
InChIInChI=1S/C10H14N2O4/c1-7-4-9(11-16-7)10(14)12-2-3-15-6-8(12)5-13/h4,8,13H,2-3,5-6H2,1H3
InChIKeyJPHXELLSUTVPFE-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.18
Rot. Bonds2

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

[3-(hydroxymethyl)morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 71785829) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is [3-(hydroxymethyl)morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID71785829
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name[3-(hydroxymethyl)morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCOCC2CO)no1
InChIInChI=1S/C10H14N2O4/c1-7-4-9(11-16-7)10(14)12-2-3-15-6-8(12)5-13/h4,8,13H,2-3,5-6H2,1H3
InChIKeyJPHXELLSUTVPFE-UHFFFAOYSA-N
XLogP-0.18
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [3-(hydroxymethyl)morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 71785829) is [3-(hydroxymethyl)morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [3-(hydroxymethyl)morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2CCOCC2CO)no1.
What is the InChIKey of [3-(hydroxymethyl)morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is JPHXELLSUTVPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-7-4-9(11-16-7)10(14)12-2-3-15-6-8(12)5-13/h4,8,13H,2-3,5-6H2,1H3.
What are the key properties of [3-(hydroxymethyl)morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[3-(hydroxymethyl)morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 226.23 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 71785829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).