1-(2-morpholin-4-yl-1,3-oxazol-5-yl)ethanone

C9H12N2O3 — CID 54045671

IUPAC1-(2-morpholin-4-yl-1,3-oxazol-5-yl)ethanone
SMILESCC(=O)c1cnc(N2CCOCC2)o1
InChIInChI=1S/C9H12N2O3/c1-7(12)8-6-10-9(14-8)11-2-4-13-5-3-11/h6H,2-5H2,1H3
InChIKeyLPKINNBPJLTJTO-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.71
Rot. Bonds2

About 1-(2-morpholin-4-yl-1,3-oxazol-5-yl)ethanone

1-(2-morpholin-4-yl-1,3-oxazol-5-yl)ethanone (PubChem CID 54045671) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-(2-morpholin-4-yl-1,3-oxazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-morpholin-4-yl-1,3-oxazol-5-yl)ethanone
PubChem CID54045671
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1-(2-morpholin-4-yl-1,3-oxazol-5-yl)ethanone
SMILESCC(=O)c1cnc(N2CCOCC2)o1
InChIInChI=1S/C9H12N2O3/c1-7(12)8-6-10-9(14-8)11-2-4-13-5-3-11/h6H,2-5H2,1H3
InChIKeyLPKINNBPJLTJTO-UHFFFAOYSA-N
XLogP0.71
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-yl-1,3-oxazol-5-yl)ethanone?
The IUPAC name of 1-(2-morpholin-4-yl-1,3-oxazol-5-yl)ethanone (CID 54045671) is 1-(2-morpholin-4-yl-1,3-oxazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-morpholin-4-yl-1,3-oxazol-5-yl)ethanone?
The canonical SMILES for 1-(2-morpholin-4-yl-1,3-oxazol-5-yl)ethanone is CC(=O)c1cnc(N2CCOCC2)o1.
What is the InChIKey of 1-(2-morpholin-4-yl-1,3-oxazol-5-yl)ethanone?
The InChIKey is LPKINNBPJLTJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-7(12)8-6-10-9(14-8)11-2-4-13-5-3-11/h6H,2-5H2,1H3.
What are the key properties of 1-(2-morpholin-4-yl-1,3-oxazol-5-yl)ethanone?
1-(2-morpholin-4-yl-1,3-oxazol-5-yl)ethanone has a molecular weight of 196.21 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-yl-1,3-oxazol-5-yl)ethanone is sourced from PubChem (CID 54045671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).