[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-oxazepan-4-yl)methanone

C20H19N5O3 — CID 145052109

About [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-oxazepan-4-yl)methanone

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-oxazepan-4-yl)methanone (PubChem CID 145052109) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-oxazepan-4-yl)methanone.

Molecular Properties

• Compound Name: [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-oxazepan-4-yl)methanone
• PubChem CID: 145052109
• Molecular Formula: C20H19N5O3
• Molecular Weight: 377.40 g/mol
• Exact Mass: 377.15
• IUPAC Name: [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-oxazepan-4-yl)methanone
• SMILES: Nc1nc2cc(-c3ccc4ncc(C(=O)N5CCCOCC5)n4c3)ccc2o1
• InChI: InChI=1S/C20H19N5O3/c21-20-23-15-10-13(2-4-17(15)28-20)14-3-5-18-22-11-16(25(18)12-14)19(26)24-6-1-8-27-9-7-24/h2-5,10-12H,1,6-9H2,(H2,21,23)
• InChIKey: UZMJPBLZWSSTAI-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 98.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.40
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-oxazepan-4-yl)methanone?

The IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-oxazepan-4-yl)methanone (CID 145052109) is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-oxazepan-4-yl)methanone.

What is the SMILES notation for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-oxazepan-4-yl)methanone?

The canonical SMILES for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-oxazepan-4-yl)methanone is Nc1nc2cc(-c3ccc4ncc(C(=O)N5CCCOCC5)n4c3)ccc2o1.

What is the InChIKey of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-oxazepan-4-yl)methanone?

The InChIKey is UZMJPBLZWSSTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c21-20-23-15-10-13(2-4-17(15)28-20)14-3-5-18-22-11-16(25(18)12-14)19(26)24-6-1-8-27-9-7-24/h2-5,10-12H,1,6-9H2,(H2,21,23).

What are the key properties of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-oxazepan-4-yl)methanone?

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-oxazepan-4-yl)methanone has a molecular weight of 377.40 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 145052109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).