2-(6-benzyl-1-methyl-8bH-pyrrolo[3,2-e]indazol-7-yl)-1,3-oxazole

C20H16N4O — CID 153313168

IUPAC2-(6-benzyl-1-methyl-8bH-pyrrolo[3,2-e]indazol-7-yl)-1,3-oxazole
SMILESCC1=NN=C2C=Cc3c(cc(-c4ncco4)n3Cc3ccccc3)C12
InChIInChI=1S/C20H16N4O/c1-13-19-15-11-18(20-21-9-10-25-20)24(12-14-5-3-2-4-6-14)17(15)8-7-16(19)23-22-13/h2-11,19H,12H2,1H3
InChIKeyXNUSRWXOUBNSGL-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.13
Rot. Bonds3

About 2-(6-benzyl-1-methyl-8bH-pyrrolo[3,2-e]indazol-7-yl)-1,3-oxazole

2-(6-benzyl-1-methyl-8bH-pyrrolo[3,2-e]indazol-7-yl)-1,3-oxazole (PubChem CID 153313168) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-(6-benzyl-1-methyl-8bH-pyrrolo[3,2-e]indazol-7-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(6-benzyl-1-methyl-8bH-pyrrolo[3,2-e]indazol-7-yl)-1,3-oxazole
PubChem CID153313168
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name2-(6-benzyl-1-methyl-8bH-pyrrolo[3,2-e]indazol-7-yl)-1,3-oxazole
SMILESCC1=NN=C2C=Cc3c(cc(-c4ncco4)n3Cc3ccccc3)C12
InChIInChI=1S/C20H16N4O/c1-13-19-15-11-18(20-21-9-10-25-20)24(12-14-5-3-2-4-6-14)17(15)8-7-16(19)23-22-13/h2-11,19H,12H2,1H3
InChIKeyXNUSRWXOUBNSGL-UHFFFAOYSA-N
XLogP4.13
TPSA55.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-benzyl-1-methyl-8bH-pyrrolo[3,2-e]indazol-7-yl)-1,3-oxazole?
The IUPAC name of 2-(6-benzyl-1-methyl-8bH-pyrrolo[3,2-e]indazol-7-yl)-1,3-oxazole (CID 153313168) is 2-(6-benzyl-1-methyl-8bH-pyrrolo[3,2-e]indazol-7-yl)-1,3-oxazole.
What is the SMILES notation for 2-(6-benzyl-1-methyl-8bH-pyrrolo[3,2-e]indazol-7-yl)-1,3-oxazole?
The canonical SMILES for 2-(6-benzyl-1-methyl-8bH-pyrrolo[3,2-e]indazol-7-yl)-1,3-oxazole is CC1=NN=C2C=Cc3c(cc(-c4ncco4)n3Cc3ccccc3)C12.
What is the InChIKey of 2-(6-benzyl-1-methyl-8bH-pyrrolo[3,2-e]indazol-7-yl)-1,3-oxazole?
The InChIKey is XNUSRWXOUBNSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-13-19-15-11-18(20-21-9-10-25-20)24(12-14-5-3-2-4-6-14)17(15)8-7-16(19)23-22-13/h2-11,19H,12H2,1H3.
What are the key properties of 2-(6-benzyl-1-methyl-8bH-pyrrolo[3,2-e]indazol-7-yl)-1,3-oxazole?
2-(6-benzyl-1-methyl-8bH-pyrrolo[3,2-e]indazol-7-yl)-1,3-oxazole has a molecular weight of 328.38 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-benzyl-1-methyl-8bH-pyrrolo[3,2-e]indazol-7-yl)-1,3-oxazole is sourced from PubChem (CID 153313168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).