5-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-1,2-oxazole-3-carboxylic acid

C15H12N2O4 — CID 117457565

IUPAC5-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc3c(c2)C(=O)N(C2CC2)C3)on1
InChIInChI=1S/C15H12N2O4/c18-14-11-5-8(13-6-12(15(19)20)16-21-13)1-2-9(11)7-17(14)10-3-4-10/h1-2,5-6,10H,3-4,7H2,(H,19,20)
InChIKeyLJQRHDCPIWLYEL-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.16
Rot. Bonds3

About 5-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-1,2-oxazole-3-carboxylic acid

5-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117457565) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 5-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID117457565
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name5-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc3c(c2)C(=O)N(C2CC2)C3)on1
InChIInChI=1S/C15H12N2O4/c18-14-11-5-8(13-6-12(15(19)20)16-21-13)1-2-9(11)7-17(14)10-3-4-10/h1-2,5-6,10H,3-4,7H2,(H,19,20)
InChIKeyLJQRHDCPIWLYEL-UHFFFAOYSA-N
XLogP2.16
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-1,2-oxazole-3-carboxylic acid (CID 117457565) is 5-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2ccc3c(c2)C(=O)N(C2CC2)C3)on1.
What is the InChIKey of 5-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is LJQRHDCPIWLYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c18-14-11-5-8(13-6-12(15(19)20)16-21-13)1-2-9(11)7-17(14)10-3-4-10/h1-2,5-6,10H,3-4,7H2,(H,19,20).
What are the key properties of 5-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-1,2-oxazole-3-carboxylic acid?
5-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 284.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117457565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).