6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-benzoxazole

C14H9N3O — CID 171099892

IUPAC6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-benzoxazole
SMILESc1cc2c(-c3ccc4ncoc4c3)cncc2[nH]1
InChIInChI=1S/C14H9N3O/c1-2-12-14(18-8-17-12)5-9(1)11-6-15-7-13-10(11)3-4-16-13/h1-8,16H
InChIKeyOSTPFUJWVAAKGZ-UHFFFAOYSA-N
MW235.25 g/mol
LogP3.37
Rot. Bonds1

About 6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-benzoxazole

6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-benzoxazole (PubChem CID 171099892) has the molecular formula C14H9N3O and a molecular weight of 235.25 g/mol. Its IUPAC name is 6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-benzoxazole
PubChem CID171099892
Molecular FormulaC14H9N3O
Molecular Weight235.25 g/mol
Exact Mass235.07
IUPAC Name6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-benzoxazole
SMILESc1cc2c(-c3ccc4ncoc4c3)cncc2[nH]1
InChIInChI=1S/C14H9N3O/c1-2-12-14(18-8-17-12)5-9(1)11-6-15-7-13-10(11)3-4-16-13/h1-8,16H
InChIKeyOSTPFUJWVAAKGZ-UHFFFAOYSA-N
XLogP3.37
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-benzoxazole?
The IUPAC name of 6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-benzoxazole (CID 171099892) is 6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-benzoxazole.
What is the SMILES notation for 6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-benzoxazole?
The canonical SMILES for 6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-benzoxazole is c1cc2c(-c3ccc4ncoc4c3)cncc2[nH]1.
What is the InChIKey of 6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-benzoxazole?
The InChIKey is OSTPFUJWVAAKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O/c1-2-12-14(18-8-17-12)5-9(1)11-6-15-7-13-10(11)3-4-16-13/h1-8,16H.
What are the key properties of 6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-benzoxazole?
6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-benzoxazole has a molecular weight of 235.25 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-benzoxazole is sourced from PubChem (CID 171099892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).