5-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1,2-oxazole-3-carboxylic acid

C15H16N2O3 — CID 117433591

IUPAC5-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1,2-oxazole-3-carboxylic acid
SMILESCC(C)N1Cc2ccc(-c3cc(C(=O)O)no3)cc2C1
InChIInChI=1S/C15H16N2O3/c1-9(2)17-7-11-4-3-10(5-12(11)8-17)14-6-13(15(18)19)16-20-14/h3-6,9H,7-8H2,1-2H3,(H,18,19)
InChIKeyRUUSLZRUQYCLAM-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.76
Rot. Bonds3

About 5-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1,2-oxazole-3-carboxylic acid

5-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117433591) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID117433591
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name5-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1,2-oxazole-3-carboxylic acid
SMILESCC(C)N1Cc2ccc(-c3cc(C(=O)O)no3)cc2C1
InChIInChI=1S/C15H16N2O3/c1-9(2)17-7-11-4-3-10(5-12(11)8-17)14-6-13(15(18)19)16-20-14/h3-6,9H,7-8H2,1-2H3,(H,18,19)
InChIKeyRUUSLZRUQYCLAM-UHFFFAOYSA-N
XLogP2.76
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1,2-oxazole-5-carboxylic acid
CID 117433603
3-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1H-pyrazole-5-carboxylic acid
CID 117431114
5-(3,4-dihydro-1H-isochromen-7-yl)-1,2-oxazole-3-carboxylic acid
CID 117364332
5-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 117457565
5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 82500452
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
5-(1-methylindazol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117359203
5-[7-methyl-1-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-3H-isoindol-5-yl]-1,2-oxazole-3-carboxylic acid
CID 142791683
5-(3-hydroxy-4-iodophenyl)-1,2-oxazole-3-carboxylic acid
CID 155392679
5-[3-(2-hydroxypropan-2-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 115111141
N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)acetamide
CID 110459252
5-(2,3-dimethyl-1-benzofuran-5-yl)-1,2-oxazole-3-carboxylic acid
CID 115003560

Frequently Asked Questions

What is the IUPAC name of 5-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1,2-oxazole-3-carboxylic acid (CID 117433591) is 5-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1,2-oxazole-3-carboxylic acid is CC(C)N1Cc2ccc(-c3cc(C(=O)O)no3)cc2C1.
What is the InChIKey of 5-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is RUUSLZRUQYCLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9(2)17-7-11-4-3-10(5-12(11)8-17)14-6-13(15(18)19)16-20-14/h3-6,9H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 5-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1,2-oxazole-3-carboxylic acid?
5-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117433591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).