1-[2-(diethylamino)-1,3-oxazol-5-yl]ethanone

C9H14N2O2 — CID 83876068

IUPAC1-[2-(diethylamino)-1,3-oxazol-5-yl]ethanone
SMILESCCN(CC)c1ncc(C(C)=O)o1
InChIInChI=1S/C9H14N2O2/c1-4-11(5-2)9-10-6-8(13-9)7(3)12/h6H,4-5H2,1-3H3
InChIKeyOEVMUGLGBYBWRN-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.72
Rot. Bonds4

About 1-[2-(diethylamino)-1,3-oxazol-5-yl]ethanone

1-[2-(diethylamino)-1,3-oxazol-5-yl]ethanone (PubChem CID 83876068) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-[2-(diethylamino)-1,3-oxazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(diethylamino)-1,3-oxazol-5-yl]ethanone
PubChem CID83876068
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-[2-(diethylamino)-1,3-oxazol-5-yl]ethanone
SMILESCCN(CC)c1ncc(C(C)=O)o1
InChIInChI=1S/C9H14N2O2/c1-4-11(5-2)9-10-6-8(13-9)7(3)12/h6H,4-5H2,1-3H3
InChIKeyOEVMUGLGBYBWRN-UHFFFAOYSA-N
XLogP1.72
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(diethylamino)furan-2-yl]ethanone
CID 82375806
1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]ethanone
CID 84766775
1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]ethanone
CID 115086783
1-[2-(methylsulfonylmethyl)-1,3-oxazol-5-yl]ethanone
CID 170201952
1-[2-(dimethylamino)-1,3-oxazol-5-yl]-2-methylpropan-1-one
CID 112712387
N-(5-acetyl-1,3-oxazol-2-yl)-3-methylpentanamide
CID 166418490
1-[2-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazol-5-yl]ethanone
CID 67547293
1-[2,4-bis(diethylamino)pyrimidin-5-yl]ethanone
CID 54348248
1-[2-[(3-bromophenyl)methyl]-1,3-oxazol-5-yl]ethanone
CID 115086653
2-(diethylamino)pyrimidine-5-carboxylic acid
CID 42281393
1-[4-(diethylamino)-3-pyridinyl]ethanone
CID 83878130
1-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanone
CID 115086140

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-1,3-oxazol-5-yl]ethanone?
The IUPAC name of 1-[2-(diethylamino)-1,3-oxazol-5-yl]ethanone (CID 83876068) is 1-[2-(diethylamino)-1,3-oxazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(diethylamino)-1,3-oxazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(diethylamino)-1,3-oxazol-5-yl]ethanone is CCN(CC)c1ncc(C(C)=O)o1.
What is the InChIKey of 1-[2-(diethylamino)-1,3-oxazol-5-yl]ethanone?
The InChIKey is OEVMUGLGBYBWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-11(5-2)9-10-6-8(13-9)7(3)12/h6H,4-5H2,1-3H3.
What are the key properties of 1-[2-(diethylamino)-1,3-oxazol-5-yl]ethanone?
1-[2-(diethylamino)-1,3-oxazol-5-yl]ethanone has a molecular weight of 182.22 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-1,3-oxazol-5-yl]ethanone is sourced from PubChem (CID 83876068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).