[(4S)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone

C18H13FN4O3 — CID 169164360

About [(4S)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone

[(4S)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone (PubChem CID 169164360) has the molecular formula C18H13FN4O3 and a molecular weight of 352.33 g/mol. Its IUPAC name is [(4S)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone.

Molecular Properties

• Compound Name: [(4S)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
• PubChem CID: 169164360
• Molecular Formula: C18H13FN4O3
• Molecular Weight: 352.33 g/mol
• Exact Mass: 352.10
• IUPAC Name: [(4S)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
• SMILES: O=C(c1cnco1)N1CCc2[nH]cnc2[C@H]1c1oc2ccccc2c1F
• InChI: InChI=1S/C18H13FN4O3/c19-14-10-3-1-2-4-12(10)26-17(14)16-15-11(21-8-22-15)5-6-23(16)18(24)13-7-20-9-25-13/h1-4,7-9,16H,5-6H2,(H,21,22)/t16-/m0/s1
• InChIKey: WIVKPFMHTYCVRR-INIZCTEOSA-N
• XLogP: 3.07
• TPSA: 88.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.33
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone?

The IUPAC name of [(4S)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone (CID 169164360) is [(4S)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone.

What is the SMILES notation for [(4S)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone?

The canonical SMILES for [(4S)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone is O=C(c1cnco1)N1CCc2[nH]cnc2[C@H]1c1oc2ccccc2c1F.

What is the InChIKey of [(4S)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone?

The InChIKey is WIVKPFMHTYCVRR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H13FN4O3/c19-14-10-3-1-2-4-12(10)26-17(14)16-15-11(21-8-22-15)5-6-23(16)18(24)13-7-20-9-25-13/h1-4,7-9,16H,5-6H2,(H,21,22)/t16-/m0/s1.

What are the key properties of [(4S)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone?

[(4S)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone has a molecular weight of 352.33 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(4S)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 169164360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).