3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-2,4-dihydroindeno[1,2-c]pyrazole-6-carboxylic acid

C21H15N3O3 — CID 22058242

IUPAC3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-2,4-dihydroindeno[1,2-c]pyrazole-6-carboxylic acid
SMILESCc1onc(-c2ccccc2)c1-c1[nH]nc2c1Cc1cc(C(=O)O)ccc1-2
InChIInChI=1S/C21H15N3O3/c1-11-17(18(24-27-11)12-5-3-2-4-6-12)20-16-10-14-9-13(21(25)26)7-8-15(14)19(16)22-23-20/h2-9H,10H2,1H3,(H,22,23)(H,25,26)
InChIKeyDNENJRAMSSZRGS-UHFFFAOYSA-N
MW357.37 g/mol
LogP4.31
Rot. Bonds3

About 3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-2,4-dihydroindeno[1,2-c]pyrazole-6-carboxylic acid

3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-2,4-dihydroindeno[1,2-c]pyrazole-6-carboxylic acid (PubChem CID 22058242) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is 3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-2,4-dihydroindeno[1,2-c]pyrazole-6-carboxylic acid.

Molecular Properties

Compound Name3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-2,4-dihydroindeno[1,2-c]pyrazole-6-carboxylic acid
PubChem CID22058242
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC Name3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-2,4-dihydroindeno[1,2-c]pyrazole-6-carboxylic acid
SMILESCc1onc(-c2ccccc2)c1-c1[nH]nc2c1Cc1cc(C(=O)O)ccc1-2
InChIInChI=1S/C21H15N3O3/c1-11-17(18(24-27-11)12-5-3-2-4-6-12)20-16-10-14-9-13(21(25)26)7-8-15(14)19(16)22-23-20/h2-9H,10H2,1H3,(H,22,23)(H,25,26)
InChIKeyDNENJRAMSSZRGS-UHFFFAOYSA-N
XLogP4.31
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-2,4-dihydroindeno[1,2-c]pyrazole-6-carboxylic acid?
The IUPAC name of 3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-2,4-dihydroindeno[1,2-c]pyrazole-6-carboxylic acid (CID 22058242) is 3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-2,4-dihydroindeno[1,2-c]pyrazole-6-carboxylic acid.
What is the SMILES notation for 3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-2,4-dihydroindeno[1,2-c]pyrazole-6-carboxylic acid?
The canonical SMILES for 3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-2,4-dihydroindeno[1,2-c]pyrazole-6-carboxylic acid is Cc1onc(-c2ccccc2)c1-c1[nH]nc2c1Cc1cc(C(=O)O)ccc1-2.
What is the InChIKey of 3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-2,4-dihydroindeno[1,2-c]pyrazole-6-carboxylic acid?
The InChIKey is DNENJRAMSSZRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3/c1-11-17(18(24-27-11)12-5-3-2-4-6-12)20-16-10-14-9-13(21(25)26)7-8-15(14)19(16)22-23-20/h2-9H,10H2,1H3,(H,22,23)(H,25,26).
What are the key properties of 3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-2,4-dihydroindeno[1,2-c]pyrazole-6-carboxylic acid?
3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-2,4-dihydroindeno[1,2-c]pyrazole-6-carboxylic acid has a molecular weight of 357.37 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-2,4-dihydroindeno[1,2-c]pyrazole-6-carboxylic acid is sourced from PubChem (CID 22058242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).