5-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-4-carboxylic acid

C14H12N2O4 — CID 82488432

IUPAC5-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-4-carboxylic acid
SMILESCc1oc(-c2ccc3c(c2)CC(=O)N3C)nc1C(=O)O
InChIInChI=1S/C14H12N2O4/c1-7-12(14(18)19)15-13(20-7)8-3-4-10-9(5-8)6-11(17)16(10)2/h3-5H,6H2,1-2H3,(H,18,19)
InChIKeyADZCRQQDLGQCDH-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.87
Rot. Bonds2

About 5-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-4-carboxylic acid

5-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-4-carboxylic acid (PubChem CID 82488432) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 5-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-4-carboxylic acid
PubChem CID82488432
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name5-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-4-carboxylic acid
SMILESCc1oc(-c2ccc3c(c2)CC(=O)N3C)nc1C(=O)O
InChIInChI=1S/C14H12N2O4/c1-7-12(14(18)19)15-13(20-7)8-3-4-10-9(5-8)6-11(17)16(10)2/h3-5H,6H2,1-2H3,(H,18,19)
InChIKeyADZCRQQDLGQCDH-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-4-carboxylic acid (CID 82488432) is 5-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-4-carboxylic acid is Cc1oc(-c2ccc3c(c2)CC(=O)N3C)nc1C(=O)O.
What is the InChIKey of 5-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is ADZCRQQDLGQCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-7-12(14(18)19)15-13(20-7)8-3-4-10-9(5-8)6-11(17)16(10)2/h3-5H,6H2,1-2H3,(H,18,19).
What are the key properties of 5-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-4-carboxylic acid?
5-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 82488432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).