3-(tert-butylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid

C10H14N2O4 — CID 10513407

IUPAC3-(tert-butylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(C(=O)NC(C)(C)C)c1C(=O)O
InChIInChI=1S/C10H14N2O4/c1-5-6(9(14)15)7(12-16-5)8(13)11-10(2,3)4/h1-4H3,(H,11,13)(H,14,15)
InChIKeyARRRDERWZIVXBJ-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.21
Rot. Bonds2

About 3-(tert-butylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid

3-(tert-butylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid (PubChem CID 10513407) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-(tert-butylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(tert-butylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid
PubChem CID10513407
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name3-(tert-butylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(C(=O)NC(C)(C)C)c1C(=O)O
InChIInChI=1S/C10H14N2O4/c1-5-6(9(14)15)7(12-16-5)8(13)11-10(2,3)4/h1-4H3,(H,11,13)(H,14,15)
InChIKeyARRRDERWZIVXBJ-UHFFFAOYSA-N
XLogP1.21
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Cyclopropylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 5325757
5-Methyl-3-(trifluoromethylcarbamoyl)-1,2-oxazole-4-carboxylic acid
CID 174534041
2-[[4-Methyl-5-(trifluoromethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
CID 175450741
5-Tert-butylaminocarbonyl-3-isopropylisoxazole-4-carboxylic acid
CID 14990281
5-Tert-butylaminocarbonyl-3-methylisoxazole-4-carboxylic acid
CID 15692972
2-[[2-(3,5-Dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79795307
Methyl 3-(tert-butylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 10562012
4-acetyl-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 44604607
5-Carbamoyl-3-methyl-1,2-oxazole-4-carboxylic acid
CID 12793483
5-(Tert-butylcarbamoyl)-3-prop-1-en-2-yl-1,2-oxazole-4-carboxylic acid
CID 15056712
3-(Cyclopropylcarbamoyl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid
CID 15682536
3-(Tert-butylcarbamoyl)-5-propyl-1,2-oxazole-4-carboxylic acid
CID 15682566

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(tert-butylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid (CID 10513407) is 3-(tert-butylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(tert-butylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(tert-butylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid is Cc1onc(C(=O)NC(C)(C)C)c1C(=O)O.
What is the InChIKey of 3-(tert-butylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is ARRRDERWZIVXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-5-6(9(14)15)7(12-16-5)8(13)11-10(2,3)4/h1-4H3,(H,11,13)(H,14,15).
What are the key properties of 3-(tert-butylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
3-(tert-butylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 226.23 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 10513407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).