6-cyclopropyl-N-(1-hydroxybutan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C17H23N3O3 — CID 110891714

About 6-cyclopropyl-N-(1-hydroxybutan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-(1-hydroxybutan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 110891714) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 6-cyclopropyl-N-(1-hydroxybutan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-N-(1-hydroxybutan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 110891714
• Molecular Formula: C17H23N3O3
• Molecular Weight: 317.39 g/mol
• Exact Mass: 317.17
• IUPAC Name: 6-cyclopropyl-N-(1-hydroxybutan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CCC(CO)NC(=O)c1cc(C2CC2)nc2onc(C(C)C)c12
• InChI: InChI=1S/C17H23N3O3/c1-4-11(8-21)18-16(22)12-7-13(10-5-6-10)19-17-14(12)15(9(2)3)20-23-17/h7,9-11,21H,4-6,8H2,1-3H3,(H,18,22)
• InChIKey: FMLBBPTXAWSDOU-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 88.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.39
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(1-hydroxybutan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-cyclopropyl-N-(1-hydroxybutan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 110891714) is 6-cyclopropyl-N-(1-hydroxybutan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-cyclopropyl-N-(1-hydroxybutan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-cyclopropyl-N-(1-hydroxybutan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCC(CO)NC(=O)c1cc(C2CC2)nc2onc(C(C)C)c12.

What is the InChIKey of 6-cyclopropyl-N-(1-hydroxybutan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is FMLBBPTXAWSDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-4-11(8-21)18-16(22)12-7-13(10-5-6-10)19-17-14(12)15(9(2)3)20-23-17/h7,9-11,21H,4-6,8H2,1-3H3,(H,18,22).

What are the key properties of 6-cyclopropyl-N-(1-hydroxybutan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

6-cyclopropyl-N-(1-hydroxybutan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-N-(1-hydroxybutan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 110891714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).