4-propyl-1,2-oxazole-3-carboxylic acid

C7H9NO3 — CID 83635426

IUPAC4-propyl-1,2-oxazole-3-carboxylic acid
SMILESCCCc1conc1C(=O)O
InChIInChI=1S/C7H9NO3/c1-2-3-5-4-11-8-6(5)7(9)10/h4H,2-3H2,1H3,(H,9,10)
InChIKeyDUZCJWZZMQVXHU-UHFFFAOYSA-N
MW155.15 g/mol
LogP1.33
Rot. Bonds3

About 4-propyl-1,2-oxazole-3-carboxylic acid

4-propyl-1,2-oxazole-3-carboxylic acid (PubChem CID 83635426) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 4-propyl-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-propyl-1,2-oxazole-3-carboxylic acid
PubChem CID83635426
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name4-propyl-1,2-oxazole-3-carboxylic acid
SMILESCCCc1conc1C(=O)O
InChIInChI=1S/C7H9NO3/c1-2-3-5-4-11-8-6(5)7(9)10/h4H,2-3H2,1H3,(H,9,10)
InChIKeyDUZCJWZZMQVXHU-UHFFFAOYSA-N
XLogP1.33
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-propyl-1,2-oxazole-3-carboxylic acid (CID 83635426) is 4-propyl-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-propyl-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-propyl-1,2-oxazole-3-carboxylic acid is CCCc1conc1C(=O)O.
What is the InChIKey of 4-propyl-1,2-oxazole-3-carboxylic acid?
The InChIKey is DUZCJWZZMQVXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-2-3-5-4-11-8-6(5)7(9)10/h4H,2-3H2,1H3,(H,9,10).
What are the key properties of 4-propyl-1,2-oxazole-3-carboxylic acid?
4-propyl-1,2-oxazole-3-carboxylic acid has a molecular weight of 155.15 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 83635426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).