2-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazole-4-carboxylic acid

C13H11NO3 — CID 62234498

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(-c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C13H11NO3/c15-13(16)11-7-17-12(14-11)10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H,15,16)
InChIKeyKRCMZCRHDQJZGT-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.53
Rot. Bonds2

About 2-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazole-4-carboxylic acid

2-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazole-4-carboxylic acid (PubChem CID 62234498) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazole-4-carboxylic acid
PubChem CID62234498
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(-c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C13H11NO3/c15-13(16)11-7-17-12(14-11)10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H,15,16)
InChIKeyKRCMZCRHDQJZGT-UHFFFAOYSA-N
XLogP2.53
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazole-4-carboxylic acid (CID 62234498) is 2-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(-c2ccc3c(c2)CCC3)n1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is KRCMZCRHDQJZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c15-13(16)11-7-17-12(14-11)10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H,15,16).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazole-4-carboxylic acid?
2-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 229.24 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 62234498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).