5-(1,3-oxazol-2-yl)-1,3-dihydroisoindole-2-carboxylic acid

C12H10N2O3 — CID 175868155

IUPAC5-(1,3-oxazol-2-yl)-1,3-dihydroisoindole-2-carboxylic acid
SMILESO=C(O)N1Cc2ccc(-c3ncco3)cc2C1
InChIInChI=1S/C12H10N2O3/c15-12(16)14-6-9-2-1-8(5-10(9)7-14)11-13-3-4-17-11/h1-5H,6-7H2,(H,15,16)
InChIKeyFVAQZYDVGQGUQL-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.34
Rot. Bonds1

About 5-(1,3-oxazol-2-yl)-1,3-dihydroisoindole-2-carboxylic acid

5-(1,3-oxazol-2-yl)-1,3-dihydroisoindole-2-carboxylic acid (PubChem CID 175868155) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 5-(1,3-oxazol-2-yl)-1,3-dihydroisoindole-2-carboxylic acid.

Molecular Properties

Compound Name5-(1,3-oxazol-2-yl)-1,3-dihydroisoindole-2-carboxylic acid
PubChem CID175868155
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name5-(1,3-oxazol-2-yl)-1,3-dihydroisoindole-2-carboxylic acid
SMILESO=C(O)N1Cc2ccc(-c3ncco3)cc2C1
InChIInChI=1S/C12H10N2O3/c15-12(16)14-6-9-2-1-8(5-10(9)7-14)11-13-3-4-17-11/h1-5H,6-7H2,(H,15,16)
InChIKeyFVAQZYDVGQGUQL-UHFFFAOYSA-N
XLogP2.34
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-oxazol-2-yl)-1,3-dihydroisoindole-2-carboxylic acid?
The IUPAC name of 5-(1,3-oxazol-2-yl)-1,3-dihydroisoindole-2-carboxylic acid (CID 175868155) is 5-(1,3-oxazol-2-yl)-1,3-dihydroisoindole-2-carboxylic acid.
What is the SMILES notation for 5-(1,3-oxazol-2-yl)-1,3-dihydroisoindole-2-carboxylic acid?
The canonical SMILES for 5-(1,3-oxazol-2-yl)-1,3-dihydroisoindole-2-carboxylic acid is O=C(O)N1Cc2ccc(-c3ncco3)cc2C1.
What is the InChIKey of 5-(1,3-oxazol-2-yl)-1,3-dihydroisoindole-2-carboxylic acid?
The InChIKey is FVAQZYDVGQGUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-12(16)14-6-9-2-1-8(5-10(9)7-14)11-13-3-4-17-11/h1-5H,6-7H2,(H,15,16).
What are the key properties of 5-(1,3-oxazol-2-yl)-1,3-dihydroisoindole-2-carboxylic acid?
5-(1,3-oxazol-2-yl)-1,3-dihydroisoindole-2-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-oxazol-2-yl)-1,3-dihydroisoindole-2-carboxylic acid is sourced from PubChem (CID 175868155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).