1-(1,2-oxazol-5-ylmethyl)-2,3-dihydroindole-2-carboxylic acid

C13H12N2O3 — CID 80566932

IUPAC1-(1,2-oxazol-5-ylmethyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1Cc1ccno1
InChIInChI=1S/C13H12N2O3/c16-13(17)12-7-9-3-1-2-4-11(9)15(12)8-10-5-6-14-18-10/h1-6,12H,7-8H2,(H,16,17)
InChIKeyCOVPSFWSDSKMAJ-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.69
Rot. Bonds3

About 1-(1,2-oxazol-5-ylmethyl)-2,3-dihydroindole-2-carboxylic acid

1-(1,2-oxazol-5-ylmethyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 80566932) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 1-(1,2-oxazol-5-ylmethyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(1,2-oxazol-5-ylmethyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID80566932
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name1-(1,2-oxazol-5-ylmethyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1Cc1ccno1
InChIInChI=1S/C13H12N2O3/c16-13(17)12-7-9-3-1-2-4-11(9)15(12)8-10-5-6-14-18-10/h1-6,12H,7-8H2,(H,16,17)
InChIKeyCOVPSFWSDSKMAJ-UHFFFAOYSA-N
XLogP1.69
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-5-ylmethyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-(1,2-oxazol-5-ylmethyl)-2,3-dihydroindole-2-carboxylic acid (CID 80566932) is 1-(1,2-oxazol-5-ylmethyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-(1,2-oxazol-5-ylmethyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-(1,2-oxazol-5-ylmethyl)-2,3-dihydroindole-2-carboxylic acid is O=C(O)C1Cc2ccccc2N1Cc1ccno1.
What is the InChIKey of 1-(1,2-oxazol-5-ylmethyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is COVPSFWSDSKMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-13(17)12-7-9-3-1-2-4-11(9)15(12)8-10-5-6-14-18-10/h1-6,12H,7-8H2,(H,16,17).
What are the key properties of 1-(1,2-oxazol-5-ylmethyl)-2,3-dihydroindole-2-carboxylic acid?
1-(1,2-oxazol-5-ylmethyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-5-ylmethyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 80566932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).