2-(1,2-oxazole-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid

C13H10N2O4 — CID 103997286

IUPAC2-(1,2-oxazole-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CN(C(=O)c1ccon1)C2
InChIInChI=1S/C13H10N2O4/c16-12(11-3-4-19-14-11)15-6-9-2-1-8(13(17)18)5-10(9)7-15/h1-5H,6-7H2,(H,17,18)
InChIKeyWYIGDMVJFSUIBN-UHFFFAOYSA-N
MW258.23 g/mol
LogP1.53
Rot. Bonds2

About 2-(1,2-oxazole-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid

2-(1,2-oxazole-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid (PubChem CID 103997286) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is 2-(1,2-oxazole-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1,2-oxazole-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
PubChem CID103997286
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name2-(1,2-oxazole-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CN(C(=O)c1ccon1)C2
InChIInChI=1S/C13H10N2O4/c16-12(11-3-4-19-14-11)15-6-9-2-1-8(13(17)18)5-10(9)7-15/h1-5H,6-7H2,(H,17,18)
InChIKeyWYIGDMVJFSUIBN-UHFFFAOYSA-N
XLogP1.53
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methylpyrazine-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997269
benzene;1,2-oxazol-3-yl(pyrrolidin-1-yl)methanone
CID 167484647
2-(2-methylpyrazole-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997138
2-(3-methylfuran-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997302
2-(2,3-dimethylquinoxaline-6-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 146095795
2-(cyclohexanecarbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997148
2-(3-bromopyridine-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 107517250
2-(4-methylthiadiazole-5-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997156
1-(1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63032522
3-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]propanoic acid
CID 62215797
2-(2-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997152
2-(3-methoxy-3-methylbutanoyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103019250

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazole-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid?
The IUPAC name of 2-(1,2-oxazole-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid (CID 103997286) is 2-(1,2-oxazole-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid.
What is the SMILES notation for 2-(1,2-oxazole-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid?
The canonical SMILES for 2-(1,2-oxazole-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid is O=C(O)c1ccc2c(c1)CN(C(=O)c1ccon1)C2.
What is the InChIKey of 2-(1,2-oxazole-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid?
The InChIKey is WYIGDMVJFSUIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4/c16-12(11-3-4-19-14-11)15-6-9-2-1-8(13(17)18)5-10(9)7-15/h1-5H,6-7H2,(H,17,18).
What are the key properties of 2-(1,2-oxazole-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid?
2-(1,2-oxazole-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid has a molecular weight of 258.23 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazole-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid is sourced from PubChem (CID 103997286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).