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

C10H14N2O4 — CID 15692972

IUPAC5-(tert-butylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1noc(C(=O)NC(C)(C)C)c1C(=O)O
InChIInChI=1S/C10H14N2O4/c1-5-6(9(14)15)7(16-12-5)8(13)11-10(2,3)4/h1-4H3,(H,11,13)(H,14,15)
InChIKeyFNHVXPRFIFSKRD-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.21
Rot. Bonds2

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

5-(tert-butylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylic acid (PubChem CID 15692972) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 5-(tert-butylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(tert-butylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylic acid
PubChem CID15692972
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name5-(tert-butylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1noc(C(=O)NC(C)(C)C)c1C(=O)O
InChIInChI=1S/C10H14N2O4/c1-5-6(9(14)15)7(16-12-5)8(13)11-10(2,3)4/h1-4H3,(H,11,13)(H,14,15)
InChIKeyFNHVXPRFIFSKRD-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

Methyl 5-(butylcarbamoyl)-3-(chloromethyl)-1,2-oxazole-4-carboxylate
CID 11958554
3-(Cyclopropylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 5325757
3-Tert-butylaminocarbonyl-5-methylisoxazole-4-carboxylic acid
CID 10513407
5-[(1R)-1-(cyclopropanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 75368318
5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 75368319
3-methyl-5-[(1R)-1-(3-methylbutanoylamino)ethyl]-1,2-oxazole-4-carboxylic acid
CID 75368334
5-Methyl-3-(trifluoromethylcarbamoyl)-1,2-oxazole-4-carboxylic acid
CID 174534041
5-Tert-butylaminocarbonyl-3-isopropylisoxazole-4-carboxylic acid
CID 14990281
N-tert-butyl-4-formyl-3-methyl-1,2-oxazole-5-carboxamide
CID 15692978
5-(Cyclopropylcarbamoyl)-3-propan-2-yl-1,2-oxazole-4-carboxylic acid
CID 15693004
5-Carbamoyl-3-(sulfanylmethyl)-1,2-oxazole-4-carboxylic acid
CID 90779127
2-[[2-(3,5-Dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79795307

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(tert-butylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylic acid (CID 15692972) is 5-(tert-butylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(tert-butylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(tert-butylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylic acid is Cc1noc(C(=O)NC(C)(C)C)c1C(=O)O.
What is the InChIKey of 5-(tert-butylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is FNHVXPRFIFSKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-5-6(9(14)15)7(16-12-5)8(13)11-10(2,3)4/h1-4H3,(H,11,13)(H,14,15).
What are the key properties of 5-(tert-butylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylic acid?
5-(tert-butylcarbamoyl)-3-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 5-(tert-butylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 15692972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).