3-tert-butyl-4-(3-tert-butyl-4-methyl-5-oxo-1,2-oxazol-4-yl)-4-methyl-1,2-oxazol-5-one

C16H24N2O4 — CID 10267267

IUPAC3-tert-butyl-4-(3-tert-butyl-4-methyl-5-oxo-1,2-oxazol-4-yl)-4-methyl-1,2-oxazol-5-one
SMILESCC(C)(C)C1=NOC(=O)C1(C)C1(C)C(=O)ON=C1C(C)(C)C
InChIInChI=1S/C16H24N2O4/c1-13(2,3)9-15(7,11(19)21-17-9)16(8)10(14(4,5)6)18-22-12(16)20/h1-8H3
InChIKeyMMWIGVDFPDPEIH-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.92
Rot. Bonds1

About 3-tert-butyl-4-(3-tert-butyl-4-methyl-5-oxo-1,2-oxazol-4-yl)-4-methyl-1,2-oxazol-5-one

3-tert-butyl-4-(3-tert-butyl-4-methyl-5-oxo-1,2-oxazol-4-yl)-4-methyl-1,2-oxazol-5-one (PubChem CID 10267267) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-tert-butyl-4-(3-tert-butyl-4-methyl-5-oxo-1,2-oxazol-4-yl)-4-methyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-tert-butyl-4-(3-tert-butyl-4-methyl-5-oxo-1,2-oxazol-4-yl)-4-methyl-1,2-oxazol-5-one
PubChem CID10267267
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name3-tert-butyl-4-(3-tert-butyl-4-methyl-5-oxo-1,2-oxazol-4-yl)-4-methyl-1,2-oxazol-5-one
SMILESCC(C)(C)C1=NOC(=O)C1(C)C1(C)C(=O)ON=C1C(C)(C)C
InChIInChI=1S/C16H24N2O4/c1-13(2,3)9-15(7,11(19)21-17-9)16(8)10(14(4,5)6)18-22-12(16)20/h1-8H3
InChIKeyMMWIGVDFPDPEIH-UHFFFAOYSA-N
XLogP2.92
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4S)-3-tert-butyl-4-methyl-4H-1,2-oxazol-5-one
CID 98089092
5-tert-butyl-6,6-dimethyl-1,3,4-oxathiazine 3,3-dioxide
CID 59463901
4-ethyl-4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-one
CID 18680183
3-(1-hydroxy-2-methylpropan-2-yl)oxazet-4-one
CID 70372085
2-tert-butyl-6,6-dimethyl-5H-1,3-oxazin-4-one
CID 59463978
2-tert-butyl-5-(hydroxymethyl)-5-methyl-1,3-dioxane-4,6-dione
CID 141236108
4-(2,3-dihydroxybutan-2-yl)-3,3-dimethyloxetan-2-one
CID 129073905
3,3,4,4,5-pentamethyl-5-propyloxolan-2-one
CID 21402914
4-tert-butyl-4-methyl-1,3-oxazolidine-2,5-dione
CID 11126720
(3S,4S)-4-tert-butyl-3-chloro-3-methyloxetan-2-one
CID 10654873
3,4-ditert-butyl-3-methyloxolane-2,5-dione
CID 134260914
2-amino-2-methylpropane-1,3-diol;4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one
CID 160845972

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-(3-tert-butyl-4-methyl-5-oxo-1,2-oxazol-4-yl)-4-methyl-1,2-oxazol-5-one?
The IUPAC name of 3-tert-butyl-4-(3-tert-butyl-4-methyl-5-oxo-1,2-oxazol-4-yl)-4-methyl-1,2-oxazol-5-one (CID 10267267) is 3-tert-butyl-4-(3-tert-butyl-4-methyl-5-oxo-1,2-oxazol-4-yl)-4-methyl-1,2-oxazol-5-one.
What is the SMILES notation for 3-tert-butyl-4-(3-tert-butyl-4-methyl-5-oxo-1,2-oxazol-4-yl)-4-methyl-1,2-oxazol-5-one?
The canonical SMILES for 3-tert-butyl-4-(3-tert-butyl-4-methyl-5-oxo-1,2-oxazol-4-yl)-4-methyl-1,2-oxazol-5-one is CC(C)(C)C1=NOC(=O)C1(C)C1(C)C(=O)ON=C1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-4-(3-tert-butyl-4-methyl-5-oxo-1,2-oxazol-4-yl)-4-methyl-1,2-oxazol-5-one?
The InChIKey is MMWIGVDFPDPEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-13(2,3)9-15(7,11(19)21-17-9)16(8)10(14(4,5)6)18-22-12(16)20/h1-8H3.
What are the key properties of 3-tert-butyl-4-(3-tert-butyl-4-methyl-5-oxo-1,2-oxazol-4-yl)-4-methyl-1,2-oxazol-5-one?
3-tert-butyl-4-(3-tert-butyl-4-methyl-5-oxo-1,2-oxazol-4-yl)-4-methyl-1,2-oxazol-5-one has a molecular weight of 308.38 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-(3-tert-butyl-4-methyl-5-oxo-1,2-oxazol-4-yl)-4-methyl-1,2-oxazol-5-one is sourced from PubChem (CID 10267267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).