1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid

C15H14N2O4 — CID 80564886

IUPAC1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCc1noc(C)c1C(=O)N1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C15H14N2O4/c1-8-13(9(2)21-16-8)14(18)17-7-11(15(19)20)10-5-3-4-6-12(10)17/h3-6,11H,7H2,1-2H3,(H,19,20)
InChIKeyQTRIXWYQYCRWLT-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.12
Rot. Bonds2

About 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid

1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 80564886) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID80564886
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCc1noc(C)c1C(=O)N1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C15H14N2O4/c1-8-13(9(2)21-16-8)14(18)17-7-11(15(19)20)10-5-3-4-6-12(10)17/h3-6,11H,7H2,1-2H3,(H,19,20)
InChIKeyQTRIXWYQYCRWLT-UHFFFAOYSA-N
XLogP2.12
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid (CID 80564886) is 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid is Cc1noc(C)c1C(=O)N1CC(C(=O)O)c2ccccc21.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is QTRIXWYQYCRWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-8-13(9(2)21-16-8)14(18)17-7-11(15(19)20)10-5-3-4-6-12(10)17/h3-6,11H,7H2,1-2H3,(H,19,20).
What are the key properties of 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 80564886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).