[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

C20H16F3N5O4 — CID 169162782

About [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

[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 (PubChem CID 169162782) has the molecular formula C20H16F3N5O4 and a molecular weight of 447.37 g/mol. Its IUPAC name is [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.

Molecular Properties

• Compound Name: [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
• PubChem CID: 169162782
• Molecular Formula: C20H16F3N5O4
• Molecular Weight: 447.37 g/mol
• Exact Mass: 447.12
• IUPAC Name: [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
• SMILES: COCc1nc(C(F)F)c(C(=O)N2CCc3[nH]cnc3[C@H]2c2nc3cc(F)ccc3o2)o1
• InChI: InChI=1S/C20H16F3N5O4/c1-30-7-13-27-15(18(22)23)17(32-13)20(29)28-5-4-10-14(25-8-24-10)16(28)19-26-11-6-9(21)2-3-12(11)31-19/h2-3,6,8,16,18H,4-5,7H2,1H3,(H,24,25)/t16-/m0/s1
• InChIKey: UEYJUQOLXSPCTK-INIZCTEOSA-N
• XLogP: 3.55
• TPSA: 110.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.37
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [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?

The IUPAC name of [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) is [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.

What is the SMILES notation for [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?

The canonical SMILES for [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 is COCc1nc(C(F)F)c(C(=O)N2CCc3[nH]cnc3[C@H]2c2nc3cc(F)ccc3o2)o1.

What is the InChIKey of [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?

The InChIKey is UEYJUQOLXSPCTK-INIZCTEOSA-N. The full InChI is InChI=1S/C20H16F3N5O4/c1-30-7-13-27-15(18(22)23)17(32-13)20(29)28-5-4-10-14(25-8-24-10)16(28)19-26-11-6-9(21)2-3-12(11)31-19/h2-3,6,8,16,18H,4-5,7H2,1H3,(H,24,25)/t16-/m0/s1.

What are the key properties of [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?

[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 has a molecular weight of 447.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [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 is sourced from PubChem (CID 169162782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).