2-propyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid

C7H11NO3 — CID 75088955

IUPAC2-propyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
SMILESCCCC1=NC(C(=O)O)CO1
InChIInChI=1S/C7H11NO3/c1-2-3-6-8-5(4-11-6)7(9)10/h5H,2-4H2,1H3,(H,9,10)
InChIKeyFEAQDXAQQWQSCO-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.67
Rot. Bonds3

About 2-propyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid

2-propyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid (PubChem CID 75088955) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-propyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-propyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
PubChem CID75088955
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-propyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
SMILESCCCC1=NC(C(=O)O)CO1
InChIInChI=1S/C7H11NO3/c1-2-3-6-8-5(4-11-6)7(9)10/h5H,2-4H2,1H3,(H,9,10)
InChIKeyFEAQDXAQQWQSCO-UHFFFAOYSA-N
XLogP0.67
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-propyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid (CID 75088955) is 2-propyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-propyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-propyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid is CCCC1=NC(C(=O)O)CO1.
What is the InChIKey of 2-propyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The InChIKey is FEAQDXAQQWQSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-2-3-6-8-5(4-11-6)7(9)10/h5H,2-4H2,1H3,(H,9,10).
What are the key properties of 2-propyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
2-propyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 75088955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).