5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxylic acid

C8H11NO3 — CID 6484242

IUPAC5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(C(C)C)c1C(=O)O
InChIInChI=1S/C8H11NO3/c1-4(2)7-6(8(10)11)5(3)12-9-7/h4H,1-3H3,(H,10,11)
InChIKeyTYGXTLZIBFXYQP-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.80
Rot. Bonds2

About 5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxylic acid

5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 6484242) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxylic acid
PubChem CID6484242
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(C(C)C)c1C(=O)O
InChIInChI=1S/C8H11NO3/c1-4(2)7-6(8(10)11)5(3)12-9-7/h4H,1-3H3,(H,10,11)
InChIKeyTYGXTLZIBFXYQP-UHFFFAOYSA-N
XLogP1.80
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxylic acid (CID 6484242) is 5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxylic acid is Cc1onc(C(C)C)c1C(=O)O.
What is the InChIKey of 5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is TYGXTLZIBFXYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-4(2)7-6(8(10)11)5(3)12-9-7/h4H,1-3H3,(H,10,11).
What are the key properties of 5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxylic acid?
5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 6484242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).