4,4-dimethyl-2-(2-methylbutan-2-yl)-1,3-oxazol-5-one;ethane

C14H29NO2 — CID 144606824

IUPAC4,4-dimethyl-2-(2-methylbutan-2-yl)-1,3-oxazol-5-one;ethane
SMILESCC.CC.CCC(C)(C)C1=NC(C)(C)C(=O)O1
InChIInChI=1S/C10H17NO2.2C2H6/c1-6-9(2,3)7-11-10(4,5)8(12)13-7;2*1-2/h6H2,1-5H3;2*1-2H3
InChIKeyFKQRGTGGNHBJEQ-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.21
Rot. Bonds2

About 4,4-dimethyl-2-(2-methylbutan-2-yl)-1,3-oxazol-5-one;ethane

4,4-dimethyl-2-(2-methylbutan-2-yl)-1,3-oxazol-5-one;ethane (PubChem CID 144606824) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 4,4-dimethyl-2-(2-methylbutan-2-yl)-1,3-oxazol-5-one;ethane.

Molecular Properties

Compound Name4,4-dimethyl-2-(2-methylbutan-2-yl)-1,3-oxazol-5-one;ethane
PubChem CID144606824
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name4,4-dimethyl-2-(2-methylbutan-2-yl)-1,3-oxazol-5-one;ethane
SMILESCC.CC.CCC(C)(C)C1=NC(C)(C)C(=O)O1
InChIInChI=1S/C10H17NO2.2C2H6/c1-6-9(2,3)7-11-10(4,5)8(12)13-7;2*1-2/h6H2,1-5H3;2*1-2H3
InChIKeyFKQRGTGGNHBJEQ-UHFFFAOYSA-N
XLogP4.21
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,4-dimethyl-2-(2-methylbutan-2-yl)-1,3-oxazol-5-one;ethane with MolForge

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Related Compounds

2-tert-butyl-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 14905591
2-(1,1-Dimethylethyl)-4,4-dimethyl-5(4H)-oxazolone
CID 15438681
4-Ethyl-4-methyl-2-propan-2-yl-1,3-oxazol-5-one
CID 19803336
2-Butan-2-yl-4,4-dimethyl-1,3-oxazol-5-one
CID 20781541
4,4-Dimethyl-2-propyl-1,3-oxazol-5(4H)-one
CID 23567768
2-[3-(4,4-Dimethyl-5-oxo-1,3-oxazol-2-yl)pentan-3-yl]-4,4-dimethyl-1,3-oxazol-5-one
CID 53972388
2-[1-(4,4-Dimethyl-5-oxo-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-1,3-oxazol-5-one
CID 54568951
2-[2-(4,4-Dimethyl-5-oxo-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one
CID 57153210
[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-ethylbutyl] acetate
CID 69569434
[2-(acetyloxymethyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)butyl] acetate
CID 69570889
[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylbutyl] acetate
CID 69576904
4,4-Dimethyl-2-(2-methylbutan-2-yl)-1,3-oxazol-5-one
CID 122546379

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(2-methylbutan-2-yl)-1,3-oxazol-5-one;ethane?
The IUPAC name of 4,4-dimethyl-2-(2-methylbutan-2-yl)-1,3-oxazol-5-one;ethane (CID 144606824) is 4,4-dimethyl-2-(2-methylbutan-2-yl)-1,3-oxazol-5-one;ethane.
What is the SMILES notation for 4,4-dimethyl-2-(2-methylbutan-2-yl)-1,3-oxazol-5-one;ethane?
The canonical SMILES for 4,4-dimethyl-2-(2-methylbutan-2-yl)-1,3-oxazol-5-one;ethane is CC.CC.CCC(C)(C)C1=NC(C)(C)C(=O)O1.
What is the InChIKey of 4,4-dimethyl-2-(2-methylbutan-2-yl)-1,3-oxazol-5-one;ethane?
The InChIKey is FKQRGTGGNHBJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2.2C2H6/c1-6-9(2,3)7-11-10(4,5)8(12)13-7;2*1-2/h6H2,1-5H3;2*1-2H3.
What are the key properties of 4,4-dimethyl-2-(2-methylbutan-2-yl)-1,3-oxazol-5-one;ethane?
4,4-dimethyl-2-(2-methylbutan-2-yl)-1,3-oxazol-5-one;ethane has a molecular weight of 243.39 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(2-methylbutan-2-yl)-1,3-oxazol-5-one;ethane is sourced from PubChem (CID 144606824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).