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

C7H9NO3 — CID 62313264

IUPAC3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)C1CC(C2CC2)=NO1
InChIInChI=1S/C7H9NO3/c9-7(10)6-3-5(8-11-6)4-1-2-4/h4,6H,1-3H2,(H,9,10)
InChIKeyMCCBPKHVYWIUHB-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.63
Rot. Bonds2

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

3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid (PubChem CID 62313264) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
PubChem CID62313264
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)C1CC(C2CC2)=NO1
InChIInChI=1S/C7H9NO3/c9-7(10)6-3-5(8-11-6)4-1-2-4/h4,6H,1-3H2,(H,9,10)
InChIKeyMCCBPKHVYWIUHB-UHFFFAOYSA-N
XLogP0.63
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid (CID 62313264) is 3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid is O=C(O)C1CC(C2CC2)=NO1.
What is the InChIKey of 3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The InChIKey is MCCBPKHVYWIUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c9-7(10)6-3-5(8-11-6)4-1-2-4/h4,6H,1-3H2,(H,9,10).
What are the key properties of 3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid has a molecular weight of 155.15 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 62313264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).