2-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]-2-methylbutanoic acid

C13H20N2O4 — CID 119198963

IUPAC2-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1cc(C(C)(C)C)on1)C(=O)O
InChIInChI=1S/C13H20N2O4/c1-6-13(5,11(17)18)14-10(16)8-7-9(19-15-8)12(2,3)4/h7H,6H2,1-5H3,(H,14,16)(H,17,18)
InChIKeyYCRBASRHRVIJPR-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.96
Rot. Bonds4

About 2-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]-2-methylbutanoic acid

2-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]-2-methylbutanoic acid (PubChem CID 119198963) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]-2-methylbutanoic acid
PubChem CID119198963
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1cc(C(C)(C)C)on1)C(=O)O
InChIInChI=1S/C13H20N2O4/c1-6-13(5,11(17)18)14-10(16)8-7-9(19-15-8)12(2,3)4/h7H,6H2,1-5H3,(H,14,16)(H,17,18)
InChIKeyYCRBASRHRVIJPR-UHFFFAOYSA-N
XLogP1.96
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-2-methylbutanoic acid
CID 79793569
2-methyl-2-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 120518510
2-[(5-tert-butylpyridine-2-carbonyl)amino]-2-methylbutanoic acid
CID 122107400
2-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 119199841
5-tert-butyl-N-[2-(2-hydroxyethyl)pentyl]-1,2-oxazole-3-carboxamide
CID 111697387
1-(5-tert-butyl-1,2-oxazol-3-yl)butan-1-one
CID 157374437
2-[(5-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid
CID 79793461
2-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid
CID 114819103
2-[(3,6-dichloropyridazine-4-carbonyl)amino]-2-methylbutanoic acid
CID 79792646
3-[(5-tert-butyl-1,2-oxazole-3-carbonyl)-ethylamino]propanoic acid
CID 119190915
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 79792186
2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylbutanoic acid
CID 79798385

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]-2-methylbutanoic acid (CID 119198963) is 2-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]-2-methylbutanoic acid is CCC(C)(NC(=O)c1cc(C(C)(C)C)on1)C(=O)O.
What is the InChIKey of 2-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]-2-methylbutanoic acid?
The InChIKey is YCRBASRHRVIJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-6-13(5,11(17)18)14-10(16)8-7-9(19-15-8)12(2,3)4/h7H,6H2,1-5H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]-2-methylbutanoic acid?
2-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]-2-methylbutanoic acid has a molecular weight of 268.31 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 119198963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).