[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

C19H15BrFN5O4 — CID 169163147

About [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

[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 (PubChem CID 169163147) has the molecular formula C19H15BrFN5O4 and a molecular weight of 476.26 g/mol. Its IUPAC name is [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.

Molecular Properties

• Compound Name: [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
• PubChem CID: 169163147
• Molecular Formula: C19H15BrFN5O4
• Molecular Weight: 476.26 g/mol
• Exact Mass: 475.03
• IUPAC Name: [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
• SMILES: CC(O)c1nc(Br)c(C(=O)N2CCc3[nH]cnc3[C@H]2c2nc3cc(F)ccc3o2)o1
• InChI: InChI=1S/C19H15BrFN5O4/c1-8(27)17-25-16(20)15(30-17)19(28)26-5-4-10-13(23-7-22-10)14(26)18-24-11-6-9(21)2-3-12(11)29-18/h2-3,6-8,14,27H,4-5H2,1H3,(H,22,23)/t8?,14-/m0/s1
• InChIKey: BSNGXICUXYDVOX-OMXDBJJSSA-N
• XLogP: 3.28
• TPSA: 121.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.26
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [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?

The IUPAC name of [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) is [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.

What is the SMILES notation for [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?

The canonical SMILES for [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 is CC(O)c1nc(Br)c(C(=O)N2CCc3[nH]cnc3[C@H]2c2nc3cc(F)ccc3o2)o1.

What is the InChIKey of [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?

The InChIKey is BSNGXICUXYDVOX-OMXDBJJSSA-N. The full InChI is InChI=1S/C19H15BrFN5O4/c1-8(27)17-25-16(20)15(30-17)19(28)26-5-4-10-13(23-7-22-10)14(26)18-24-11-6-9(21)2-3-12(11)29-18/h2-3,6-8,14,27H,4-5H2,1H3,(H,22,23)/t8?,14-/m0/s1.

What are the key properties of [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?

[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 has a molecular weight of 476.26 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [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 is sourced from PubChem (CID 169163147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).