4-(1-benzylpyrrolo[3,2-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole

C19H17N3O — CID 90427016

IUPAC4-(1-benzylpyrrolo[3,2-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cnc2ccn(Cc3ccccc3)c2c1
InChIInChI=1S/C19H17N3O/c1-13-19(14(2)23-21-13)16-10-18-17(20-11-16)8-9-22(18)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKeyHSHVTEBMEYUBTK-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.36
Rot. Bonds3

About 4-(1-benzylpyrrolo[3,2-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole

4-(1-benzylpyrrolo[3,2-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole (PubChem CID 90427016) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 4-(1-benzylpyrrolo[3,2-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(1-benzylpyrrolo[3,2-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole
PubChem CID90427016
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name4-(1-benzylpyrrolo[3,2-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cnc2ccn(Cc3ccccc3)c2c1
InChIInChI=1S/C19H17N3O/c1-13-19(14(2)23-21-13)16-10-18-17(20-11-16)8-9-22(18)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKeyHSHVTEBMEYUBTK-UHFFFAOYSA-N
XLogP4.36
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpyrrolo[3,2-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(1-benzylpyrrolo[3,2-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole (CID 90427016) is 4-(1-benzylpyrrolo[3,2-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(1-benzylpyrrolo[3,2-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(1-benzylpyrrolo[3,2-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1cnc2ccn(Cc3ccccc3)c2c1.
What is the InChIKey of 4-(1-benzylpyrrolo[3,2-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is HSHVTEBMEYUBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-13-19(14(2)23-21-13)16-10-18-17(20-11-16)8-9-22(18)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3.
What are the key properties of 4-(1-benzylpyrrolo[3,2-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole?
4-(1-benzylpyrrolo[3,2-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 303.37 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpyrrolo[3,2-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 90427016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).