5-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1,2-oxazol-3-one

C16H13ClN4O3 — CID 77090493

About 5-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1,2-oxazol-3-one

5-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1,2-oxazol-3-one (PubChem CID 77090493) has the molecular formula C16H13ClN4O3 and a molecular weight of 344.76 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1,2-oxazol-3-one.

Molecular Properties

• Compound Name: 5-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1,2-oxazol-3-one
• PubChem CID: 77090493
• Molecular Formula: C16H13ClN4O3
• Molecular Weight: 344.76 g/mol
• Exact Mass: 344.07
• IUPAC Name: 5-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1,2-oxazol-3-one
• SMILES: O=C(c1cc(=O)[nH]o1)N1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1
• InChI: InChI=1S/C16H13ClN4O3/c17-10-3-1-9(2-4-10)15-18-11-5-6-21(8-12(11)19-15)16(23)13-7-14(22)20-24-13/h1-4,7H,5-6,8H2,(H,18,19)(H,20,22)
• InChIKey: YHQCTYUESYIWKO-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 94.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.76
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1,2-oxazol-3-one?

The IUPAC name of 5-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1,2-oxazol-3-one (CID 77090493) is 5-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1,2-oxazol-3-one.

What is the SMILES notation for 5-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1,2-oxazol-3-one?

The canonical SMILES for 5-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1,2-oxazol-3-one is O=C(c1cc(=O)[nH]o1)N1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1.

What is the InChIKey of 5-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1,2-oxazol-3-one?

The InChIKey is YHQCTYUESYIWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O3/c17-10-3-1-9(2-4-10)15-18-11-5-6-21(8-12(11)19-15)16(23)13-7-14(22)20-24-13/h1-4,7H,5-6,8H2,(H,18,19)(H,20,22).

What are the key properties of 5-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1,2-oxazol-3-one?

5-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1,2-oxazol-3-one has a molecular weight of 344.76 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1,2-oxazol-3-one is sourced from PubChem (CID 77090493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).