6-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzoxazole

C14H9FN4O — CID 172699656

IUPAC6-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzoxazole
SMILESFc1cnc2nc(Cc3ccc4ncoc4c3)[nH]c2c1
InChIInChI=1S/C14H9FN4O/c15-9-5-11-14(16-6-9)19-13(18-11)4-8-1-2-10-12(3-8)20-7-17-10/h1-3,5-7H,4H2,(H,16,18,19)
InChIKeyCUEYHFAYERPALH-UHFFFAOYSA-N
MW268.25 g/mol
LogP2.83
Rot. Bonds2

About 6-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzoxazole

6-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzoxazole (PubChem CID 172699656) has the molecular formula C14H9FN4O and a molecular weight of 268.25 g/mol. Its IUPAC name is 6-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzoxazole
PubChem CID172699656
Molecular FormulaC14H9FN4O
Molecular Weight268.25 g/mol
Exact Mass268.08
IUPAC Name6-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzoxazole
SMILESFc1cnc2nc(Cc3ccc4ncoc4c3)[nH]c2c1
InChIInChI=1S/C14H9FN4O/c15-9-5-11-14(16-6-9)19-13(18-11)4-8-1-2-10-12(3-8)20-7-17-10/h1-3,5-7H,4H2,(H,16,18,19)
InChIKeyCUEYHFAYERPALH-UHFFFAOYSA-N
XLogP2.83
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzoxazole?
The IUPAC name of 6-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzoxazole (CID 172699656) is 6-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzoxazole.
What is the SMILES notation for 6-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzoxazole?
The canonical SMILES for 6-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzoxazole is Fc1cnc2nc(Cc3ccc4ncoc4c3)[nH]c2c1.
What is the InChIKey of 6-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzoxazole?
The InChIKey is CUEYHFAYERPALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4O/c15-9-5-11-14(16-6-9)19-13(18-11)4-8-1-2-10-12(3-8)20-7-17-10/h1-3,5-7H,4H2,(H,16,18,19).
What are the key properties of 6-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzoxazole?
6-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzoxazole has a molecular weight of 268.25 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzoxazole is sourced from PubChem (CID 172699656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).