3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid

C10H15NO3 — CID 83831331

IUPAC3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid
SMILESCC(C)c1cc(C(C)CC(=O)O)no1
InChIInChI=1S/C10H15NO3/c1-6(2)9-5-8(11-14-9)7(3)4-10(12)13/h5-7H,4H2,1-3H3,(H,12,13)
InChIKeyCEQAGUCFCXUQKD-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.38
Rot. Bonds4

About 3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid

3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid (PubChem CID 83831331) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid.

Molecular Properties

Compound Name3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid
PubChem CID83831331
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid
SMILESCC(C)c1cc(C(C)CC(=O)O)no1
InChIInChI=1S/C10H15NO3/c1-6(2)9-5-8(11-14-9)7(3)4-10(12)13/h5-7H,4H2,1-3H3,(H,12,13)
InChIKeyCEQAGUCFCXUQKD-UHFFFAOYSA-N
XLogP2.38
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Propan-2-yl)-1,2-oxazole-5-carboxylic acid
CID 654542
5-Methyl-3-isoxazolepropionic acid
CID 133360
5-Cyclohexyl-1,2-oxazole-3-carboxylic acid
CID 21445302
6-(5-Heptyl-1,2-oxazol-3-yl)hexanoic acid
CID 155534755
5-(2-Methylpropyl)-1,2-oxazole-3-carboxylic acid
CID 1133642
3-Methyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)isoxazole
CID 3016056
3-(3-Methyl-1,2-oxazol-5-yl)propanoic acid
CID 10419396
[3-(2-Methylpropyl)-1,2-oxazol-5-yl]methanol
CID 12920234
3-Cyclobutylisoxazole-5-carbaldehyde
CID 14366567
3-Cyclopentylisoxazole-5-carbaldehyde
CID 14366568
2-(3-Tert-butyl-1,2-oxazol-5-yl)acetic acid
CID 16638605
3-Propyl-1,2-oxazole-5-carboxylic acid
CID 20072746

Frequently Asked Questions

What is the IUPAC name of 3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid?
The IUPAC name of 3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid (CID 83831331) is 3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid.
What is the SMILES notation for 3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid?
The canonical SMILES for 3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid is CC(C)c1cc(C(C)CC(=O)O)no1.
What is the InChIKey of 3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid?
The InChIKey is CEQAGUCFCXUQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-6(2)9-5-8(11-14-9)7(3)4-10(12)13/h5-7H,4H2,1-3H3,(H,12,13).
What are the key properties of 3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid?
3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid has a molecular weight of 197.23 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid is sourced from PubChem (CID 83831331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).