N-(3-ethyl-4-methyl-5-oxo-1,2-oxazol-4-yl)-2-oxo-2-phenylacetamide

C14H14N2O4 — CID 134870211

IUPACN-(3-ethyl-4-methyl-5-oxo-1,2-oxazol-4-yl)-2-oxo-2-phenylacetamide
SMILESCCC1=NOC(=O)C1(C)NC(=O)C(=O)c1ccccc1
InChIInChI=1S/C14H14N2O4/c1-3-10-14(2,13(19)20-16-10)15-12(18)11(17)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,15,18)
InChIKeyHBOKVRBJSZXYHO-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.07
Rot. Bonds4

About N-(3-ethyl-4-methyl-5-oxo-1,2-oxazol-4-yl)-2-oxo-2-phenylacetamide

N-(3-ethyl-4-methyl-5-oxo-1,2-oxazol-4-yl)-2-oxo-2-phenylacetamide (PubChem CID 134870211) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-(3-ethyl-4-methyl-5-oxo-1,2-oxazol-4-yl)-2-oxo-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-ethyl-4-methyl-5-oxo-1,2-oxazol-4-yl)-2-oxo-2-phenylacetamide
PubChem CID134870211
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC NameN-(3-ethyl-4-methyl-5-oxo-1,2-oxazol-4-yl)-2-oxo-2-phenylacetamide
SMILESCCC1=NOC(=O)C1(C)NC(=O)C(=O)c1ccccc1
InChIInChI=1S/C14H14N2O4/c1-3-10-14(2,13(19)20-16-10)15-12(18)11(17)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,15,18)
InChIKeyHBOKVRBJSZXYHO-UHFFFAOYSA-N
XLogP1.07
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Related Compounds

bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
4-benzyl-3-methyl-4-(2-methylprop-2-enyl)-1,2-oxazol-5-one
CID 102346983
1,2-diphenylethane-1,2-dione;ethoxyethane
CID 67496620
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;iron
CID 70488368
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
N-tert-butyl-2-oxo-2-phenylacetamide
CID 10965642
ethoxy(trimethyl)silane;methyl benzoate
CID 91180329
2-methylidene-1-phenylbutan-1-one
CID 11788458
N'-(2-oxo-2-phenylacetyl)benzohydrazide
CID 12792453

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-4-methyl-5-oxo-1,2-oxazol-4-yl)-2-oxo-2-phenylacetamide?
The IUPAC name of N-(3-ethyl-4-methyl-5-oxo-1,2-oxazol-4-yl)-2-oxo-2-phenylacetamide (CID 134870211) is N-(3-ethyl-4-methyl-5-oxo-1,2-oxazol-4-yl)-2-oxo-2-phenylacetamide.
What is the SMILES notation for N-(3-ethyl-4-methyl-5-oxo-1,2-oxazol-4-yl)-2-oxo-2-phenylacetamide?
The canonical SMILES for N-(3-ethyl-4-methyl-5-oxo-1,2-oxazol-4-yl)-2-oxo-2-phenylacetamide is CCC1=NOC(=O)C1(C)NC(=O)C(=O)c1ccccc1.
What is the InChIKey of N-(3-ethyl-4-methyl-5-oxo-1,2-oxazol-4-yl)-2-oxo-2-phenylacetamide?
The InChIKey is HBOKVRBJSZXYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-3-10-14(2,13(19)20-16-10)15-12(18)11(17)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,15,18).
What are the key properties of N-(3-ethyl-4-methyl-5-oxo-1,2-oxazol-4-yl)-2-oxo-2-phenylacetamide?
N-(3-ethyl-4-methyl-5-oxo-1,2-oxazol-4-yl)-2-oxo-2-phenylacetamide has a molecular weight of 274.28 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4-methyl-5-oxo-1,2-oxazol-4-yl)-2-oxo-2-phenylacetamide is sourced from PubChem (CID 134870211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).