3-(3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxylic acid

C10H15NO3 — CID 130506929

IUPAC3-(3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxylic acid
SMILESCC(c1cc(C(=O)O)on1)C(C)(C)C
InChIInChI=1S/C10H15NO3/c1-6(10(2,3)4)7-5-8(9(12)13)14-11-7/h5-6H,1-4H3,(H,12,13)
InChIKeyMUWOHLUICBUVQY-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.52
Rot. Bonds2

About 3-(3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxylic acid

3-(3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxylic acid (PubChem CID 130506929) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-(3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxylic acid
PubChem CID130506929
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-(3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxylic acid
SMILESCC(c1cc(C(=O)O)on1)C(C)(C)C
InChIInChI=1S/C10H15NO3/c1-6(10(2,3)4)7-5-8(9(12)13)14-11-7/h5-6H,1-4H3,(H,12,13)
InChIKeyMUWOHLUICBUVQY-UHFFFAOYSA-N
XLogP2.52
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-aminoethyl)-1,2-oxazole-5-carboxylic acid
CID 67395403
methyl 3-[(1S)-1-amino-2-methylpropyl]-1,2-oxazole-5-carboxylate
CID 142637039
3-(2,2,3-trimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 114101640
N,N-dimethyl-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 130669877
3-[1-(1-propan-2-ylpyrrolidine-3-carbonyl)oxypropan-2-yl]-1,2-oxazole-5-carboxylic acid
CID 129167524
3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 106346904
2-[methyl-(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119209404
3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369219
4-[2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]ethyl]benzoic acid
CID 119168836
3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117385137
3-(3,3-dimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107370011
2-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 119199841

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxylic acid (CID 130506929) is 3-(3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxylic acid is CC(c1cc(C(=O)O)on1)C(C)(C)C.
What is the InChIKey of 3-(3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is MUWOHLUICBUVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-6(10(2,3)4)7-5-8(9(12)13)14-11-7/h5-6H,1-4H3,(H,12,13).
What are the key properties of 3-(3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxylic acid?
3-(3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 130506929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).