5-fluoro-2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,3-benzoxazole

C13H11FN4O — CID 169163243

IUPAC5-fluoro-2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,3-benzoxazole
SMILESFc1ccc2oc(C3NCCc4[nH]cnc43)nc2c1
InChIInChI=1S/C13H11FN4O/c14-7-1-2-10-9(5-7)18-13(19-10)12-11-8(3-4-15-12)16-6-17-11/h1-2,5-6,12,15H,3-4H2,(H,16,17)
InChIKeyXMNJLGYLFIXNGQ-UHFFFAOYSA-N
MW258.26 g/mol
LogP1.93
Rot. Bonds1

About 5-fluoro-2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,3-benzoxazole

5-fluoro-2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,3-benzoxazole (PubChem CID 169163243) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is 5-fluoro-2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-fluoro-2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,3-benzoxazole
PubChem CID169163243
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC Name5-fluoro-2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,3-benzoxazole
SMILESFc1ccc2oc(C3NCCc4[nH]cnc43)nc2c1
InChIInChI=1S/C13H11FN4O/c14-7-1-2-10-9(5-7)18-13(19-10)12-11-8(3-4-15-12)16-6-17-11/h1-2,5-6,12,15H,3-4H2,(H,16,17)
InChIKeyXMNJLGYLFIXNGQ-UHFFFAOYSA-N
XLogP1.93
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,3-benzoxazole with MolForge

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Related Compounds

(4R)-4-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 1491370
4-fluoro-2-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]phenol
CID 95119833
[4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169163258
[4-bromo-2-(1-hydroxyethyl)-1,3-oxazol-5-yl]-[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169163147
[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone
CID 169162885
[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-methylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 170144965
5-fluoro-2-(4-methylpiperidin-2-yl)-1,3-benzoxazole
CID 114425040
[4-(difluoromethyl)-2-pyrimidin-2-yl-1,3-oxazol-5-yl]-[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170145407
[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 169162913
[4-(difluoromethyl)-2-(methoxymethyl)-1,3-oxazol-5-yl]-[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169162782
[4-(difluoromethyl)-2-pyrazin-2-yl-1,3-oxazol-5-yl]-[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169162803
4-(4-bromo-2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 42648455

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,3-benzoxazole?
The IUPAC name of 5-fluoro-2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,3-benzoxazole (CID 169163243) is 5-fluoro-2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,3-benzoxazole.
What is the SMILES notation for 5-fluoro-2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,3-benzoxazole?
The canonical SMILES for 5-fluoro-2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,3-benzoxazole is Fc1ccc2oc(C3NCCc4[nH]cnc43)nc2c1.
What is the InChIKey of 5-fluoro-2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,3-benzoxazole?
The InChIKey is XMNJLGYLFIXNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O/c14-7-1-2-10-9(5-7)18-13(19-10)12-11-8(3-4-15-12)16-6-17-11/h1-2,5-6,12,15H,3-4H2,(H,16,17).
What are the key properties of 5-fluoro-2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,3-benzoxazole?
5-fluoro-2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,3-benzoxazole has a molecular weight of 258.26 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,3-benzoxazole is sourced from PubChem (CID 169163243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).