1-[2-(dimethylamino)-1,3-oxazol-5-yl]-2-methylpropan-1-one

C9H14N2O2 — CID 112712387

IUPAC1-[2-(dimethylamino)-1,3-oxazol-5-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cnc(N(C)C)o1
InChIInChI=1S/C9H14N2O2/c1-6(2)8(12)7-5-10-9(13-7)11(3)4/h5-6H,1-4H3
InChIKeyOTHIAUZOTCEBOG-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.58
Rot. Bonds3

About 1-[2-(dimethylamino)-1,3-oxazol-5-yl]-2-methylpropan-1-one

1-[2-(dimethylamino)-1,3-oxazol-5-yl]-2-methylpropan-1-one (PubChem CID 112712387) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-1,3-oxazol-5-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)-1,3-oxazol-5-yl]-2-methylpropan-1-one
PubChem CID112712387
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-[2-(dimethylamino)-1,3-oxazol-5-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cnc(N(C)C)o1
InChIInChI=1S/C9H14N2O2/c1-6(2)8(12)7-5-10-9(13-7)11(3)4/h5-6H,1-4H3
InChIKeyOTHIAUZOTCEBOG-UHFFFAOYSA-N
XLogP1.58
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(diethylamino)-1,3-oxazol-5-yl]ethanone
CID 83876068
2-amino-1-(2-chloro-1,3-oxazol-5-yl)propan-1-one
CID 84655052
1-[2-(dimethylamino)-1,3-thiazol-5-yl]-2-methylpropan-1-one
CID 83880350
2-[2-(dimethylamino)pyrimidin-5-yl]acetamide
CID 173127901
2-methyl-3-[methyl-(2-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid
CID 110835464
1-(4-bromofuran-2-yl)-2-methylpropan-1-one
CID 83887386
2-(methoxymethyl)-N,N-dimethyl-1,3-oxazole-5-carboxamide
CID 123297278
N,N-dimethyl-5-(4-methylphenyl)-1,3-oxazol-2-amine
CID 121014240
2-methyl-1-(2,3,5-trifluoro-4-pyridinyl)propan-1-one
CID 70968801
2-methyl-1-pyrazin-2-ylpropan-1-one
CID 538058
2-methyl-1-(1,2-oxazol-3-yl)propan-1-one
CID 134296437
2-methyl-1-[5-(2-methylpropanoyl)-3-pyridinyl]propan-1-one
CID 59440305

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-1,3-oxazol-5-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[2-(dimethylamino)-1,3-oxazol-5-yl]-2-methylpropan-1-one (CID 112712387) is 1-[2-(dimethylamino)-1,3-oxazol-5-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-(dimethylamino)-1,3-oxazol-5-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2-(dimethylamino)-1,3-oxazol-5-yl]-2-methylpropan-1-one is CC(C)C(=O)c1cnc(N(C)C)o1.
What is the InChIKey of 1-[2-(dimethylamino)-1,3-oxazol-5-yl]-2-methylpropan-1-one?
The InChIKey is OTHIAUZOTCEBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(2)8(12)7-5-10-9(13-7)11(3)4/h5-6H,1-4H3.
What are the key properties of 1-[2-(dimethylamino)-1,3-oxazol-5-yl]-2-methylpropan-1-one?
1-[2-(dimethylamino)-1,3-oxazol-5-yl]-2-methylpropan-1-one has a molecular weight of 182.22 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-1,3-oxazol-5-yl]-2-methylpropan-1-one is sourced from PubChem (CID 112712387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).