[(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

C21H13F2N7O3 — CID 169162885

About [(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

[(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 (PubChem CID 169162885) has the molecular formula C21H13F2N7O3 and a molecular weight of 449.38 g/mol. Its IUPAC name is [(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.

Molecular Properties

• Compound Name: [(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
• PubChem CID: 169162885
• Molecular Formula: C21H13F2N7O3
• Molecular Weight: 449.38 g/mol
• Exact Mass: 449.10
• IUPAC Name: [(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
• SMILES: O=C(c1nnc(-c2ccc(F)cn2)o1)N1CCc2[nH]cnc2[C@H]1c1nc2cc(F)ccc2o1
• InChI: InChI=1S/C21H13F2N7O3/c22-10-2-4-15-14(7-10)27-19(32-15)17-16-12(25-9-26-16)5-6-30(17)21(31)20-29-28-18(33-20)13-3-1-11(23)8-24-13/h1-4,7-9,17H,5-6H2,(H,25,26)/t17-/m0/s1
• InChIKey: SCZAEFHZIBMLEY-KRWDZBQOSA-N
• XLogP: 3.06
• TPSA: 126.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.38
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(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?

The IUPAC name of [(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) is [(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.

What is the SMILES notation for [(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?

The canonical SMILES for [(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 is O=C(c1nnc(-c2ccc(F)cn2)o1)N1CCc2[nH]cnc2[C@H]1c1nc2cc(F)ccc2o1.

What is the InChIKey of [(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?

The InChIKey is SCZAEFHZIBMLEY-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H13F2N7O3/c22-10-2-4-15-14(7-10)27-19(32-15)17-16-12(25-9-26-16)5-6-30(17)21(31)20-29-28-18(33-20)13-3-1-11(23)8-24-13/h1-4,7-9,17H,5-6H2,(H,25,26)/t17-/m0/s1.

What are the key properties of [(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?

[(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 has a molecular weight of 449.38 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(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 is sourced from PubChem (CID 169162885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).