6-cyclopropyl-3-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C21H28N4O4 — CID 78858824

About 6-cyclopropyl-3-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-3-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 78858824) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 6-cyclopropyl-3-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-3-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 78858824
• Molecular Formula: C21H28N4O4
• Molecular Weight: 400.48 g/mol
• Exact Mass: 400.21
• IUPAC Name: 6-cyclopropyl-3-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1noc2nc(C3CC3)cc(C(=O)NCC(C3CCOC3)N3CCOCC3)c12
• InChI: InChI=1S/C21H28N4O4/c1-13-19-16(10-17(14-2-3-14)23-21(19)29-24-13)20(26)22-11-18(15-4-7-28-12-15)25-5-8-27-9-6-25/h10,14-15,18H,2-9,11-12H2,1H3,(H,22,26)
• InChIKey: ALUFUXJVAKWQOV-UHFFFAOYSA-N
• XLogP: 1.88
• TPSA: 89.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.48
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-cyclopropyl-3-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 78858824) is 6-cyclopropyl-3-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for 6-cyclopropyl-3-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(C3CC3)cc(C(=O)NCC(C3CCOC3)N3CCOCC3)c12.

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

The InChIKey is ALUFUXJVAKWQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-13-19-16(10-17(14-2-3-14)23-21(19)29-24-13)20(26)22-11-18(15-4-7-28-12-15)25-5-8-27-9-6-25/h10,14-15,18H,2-9,11-12H2,1H3,(H,22,26).

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

6-cyclopropyl-3-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-3-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 78858824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).