1-(6-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indole-2-carboxylic acid

C15H13N3O3 — CID 171486371

IUPAC1-(6-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indole-2-carboxylic acid
SMILESCc1nn2c(c1-n1c(C(=O)O)cc3ccccc31)OCC2
InChIInChI=1S/C15H13N3O3/c1-9-13(14-17(16-9)6-7-21-14)18-11-5-3-2-4-10(11)8-12(18)15(19)20/h2-5,8H,6-7H2,1H3,(H,19,20)
InChIKeyVZLXNRUWSSDTIF-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.23
Rot. Bonds2

About 1-(6-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indole-2-carboxylic acid

1-(6-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indole-2-carboxylic acid (PubChem CID 171486371) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 1-(6-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indole-2-carboxylic acid.

Molecular Properties

Compound Name1-(6-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indole-2-carboxylic acid
PubChem CID171486371
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name1-(6-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indole-2-carboxylic acid
SMILESCc1nn2c(c1-n1c(C(=O)O)cc3ccccc31)OCC2
InChIInChI=1S/C15H13N3O3/c1-9-13(14-17(16-9)6-7-21-14)18-11-5-3-2-4-10(11)8-12(18)15(19)20/h2-5,8H,6-7H2,1H3,(H,19,20)
InChIKeyVZLXNRUWSSDTIF-UHFFFAOYSA-N
XLogP2.23
TPSA69.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indole-2-carboxylic acid?
The IUPAC name of 1-(6-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indole-2-carboxylic acid (CID 171486371) is 1-(6-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indole-2-carboxylic acid.
What is the SMILES notation for 1-(6-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indole-2-carboxylic acid?
The canonical SMILES for 1-(6-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indole-2-carboxylic acid is Cc1nn2c(c1-n1c(C(=O)O)cc3ccccc31)OCC2.
What is the InChIKey of 1-(6-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indole-2-carboxylic acid?
The InChIKey is VZLXNRUWSSDTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-9-13(14-17(16-9)6-7-21-14)18-11-5-3-2-4-10(11)8-12(18)15(19)20/h2-5,8H,6-7H2,1H3,(H,19,20).
What are the key properties of 1-(6-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indole-2-carboxylic acid?
1-(6-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indole-2-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indole-2-carboxylic acid is sourced from PubChem (CID 171486371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).