[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

C22H14F3N7O3 — CID 170145407

About [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

[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 (PubChem CID 170145407) has the molecular formula C22H14F3N7O3 and a molecular weight of 481.39 g/mol. Its IUPAC name is [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.

Molecular Properties

• Compound Name: [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
• PubChem CID: 170145407
• Molecular Formula: C22H14F3N7O3
• Molecular Weight: 481.39 g/mol
• Exact Mass: 481.11
• IUPAC Name: [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
• SMILES: O=C(c1oc(-c2ncccn2)nc1C(F)F)N1CCc2[nH]cnc2[C@H]1c1nc2cc(F)ccc2o1
• InChI: InChI=1S/C22H14F3N7O3/c23-10-2-3-13-12(8-10)30-20(34-13)16-14-11(28-9-29-14)4-7-32(16)22(33)17-15(18(24)25)31-21(35-17)19-26-5-1-6-27-19/h1-3,5-6,8-9,16,18H,4,7H2,(H,28,29)/t16-/m0/s1
• InChIKey: CBSHWYBLYCCEEB-INIZCTEOSA-N
• XLogP: 3.86
• TPSA: 126.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.39
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [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?

The IUPAC name of [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) is [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.

What is the SMILES notation for [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?

The canonical SMILES for [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 is O=C(c1oc(-c2ncccn2)nc1C(F)F)N1CCc2[nH]cnc2[C@H]1c1nc2cc(F)ccc2o1.

What is the InChIKey of [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?

The InChIKey is CBSHWYBLYCCEEB-INIZCTEOSA-N. The full InChI is InChI=1S/C22H14F3N7O3/c23-10-2-3-13-12(8-10)30-20(34-13)16-14-11(28-9-29-14)4-7-32(16)22(33)17-15(18(24)25)31-21(35-17)19-26-5-1-6-27-19/h1-3,5-6,8-9,16,18H,4,7H2,(H,28,29)/t16-/m0/s1.

What are the key properties of [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?

[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 has a molecular weight of 481.39 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [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 is sourced from PubChem (CID 170145407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).