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

C14H12N2O4 — CID 80564086

IUPAC1-(3-methyl-1,2-oxazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCc1cc(C(=O)N2CC(C(=O)O)c3ccccc32)on1
InChIInChI=1S/C14H12N2O4/c1-8-6-12(20-15-8)13(17)16-7-10(14(18)19)9-4-2-3-5-11(9)16/h2-6,10H,7H2,1H3,(H,18,19)
InChIKeyPSLREOFZLUCTEB-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.81
Rot. Bonds2

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

1-(3-methyl-1,2-oxazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 80564086) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 1-(3-methyl-1,2-oxazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methyl-1,2-oxazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID80564086
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name1-(3-methyl-1,2-oxazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCc1cc(C(=O)N2CC(C(=O)O)c3ccccc32)on1
InChIInChI=1S/C14H12N2O4/c1-8-6-12(20-15-8)13(17)16-7-10(14(18)19)9-4-2-3-5-11(9)16/h2-6,10H,7H2,1H3,(H,18,19)
InChIKeyPSLREOFZLUCTEB-UHFFFAOYSA-N
XLogP1.81
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2-oxazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(3-methyl-1,2-oxazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid (CID 80564086) is 1-(3-methyl-1,2-oxazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(3-methyl-1,2-oxazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(3-methyl-1,2-oxazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid is Cc1cc(C(=O)N2CC(C(=O)O)c3ccccc32)on1.
What is the InChIKey of 1-(3-methyl-1,2-oxazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is PSLREOFZLUCTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-8-6-12(20-15-8)13(17)16-7-10(14(18)19)9-4-2-3-5-11(9)16/h2-6,10H,7H2,1H3,(H,18,19).
What are the key properties of 1-(3-methyl-1,2-oxazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
1-(3-methyl-1,2-oxazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2-oxazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 80564086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).