6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3S)-oxan-3-yl]pyridazine-3-carboxamide

C21H23N5O4 — CID 134590430

About 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3S)-oxan-3-yl]pyridazine-3-carboxamide

6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3S)-oxan-3-yl]pyridazine-3-carboxamide (PubChem CID 134590430) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3S)-oxan-3-yl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3S)-oxan-3-yl]pyridazine-3-carboxamide
• PubChem CID: 134590430
• Molecular Formula: C21H23N5O4
• Molecular Weight: 409.45 g/mol
• Exact Mass: 409.18
• IUPAC Name: 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3S)-oxan-3-yl]pyridazine-3-carboxamide
• SMILES: Cc1ccc(-c2noc(C)c2COc2ccc(C(=O)N[C@H]3CCCOC3)nn2)cn1
• InChI: InChI=1S/C21H23N5O4/c1-13-5-6-15(10-22-13)20-17(14(2)30-26-20)12-29-19-8-7-18(24-25-19)21(27)23-16-4-3-9-28-11-16/h5-8,10,16H,3-4,9,11-12H2,1-2H3,(H,23,27)/t16-/m0/s1
• InChIKey: BFDLKCJRLLXZFO-INIZCTEOSA-N
• XLogP: 2.63
• TPSA: 112.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.45
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3S)-oxan-3-yl]pyridazine-3-carboxamide?

The IUPAC name of 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3S)-oxan-3-yl]pyridazine-3-carboxamide (CID 134590430) is 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3S)-oxan-3-yl]pyridazine-3-carboxamide.

What is the SMILES notation for 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3S)-oxan-3-yl]pyridazine-3-carboxamide?

The canonical SMILES for 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3S)-oxan-3-yl]pyridazine-3-carboxamide is Cc1ccc(-c2noc(C)c2COc2ccc(C(=O)N[C@H]3CCCOC3)nn2)cn1.

What is the InChIKey of 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3S)-oxan-3-yl]pyridazine-3-carboxamide?

The InChIKey is BFDLKCJRLLXZFO-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-13-5-6-15(10-22-13)20-17(14(2)30-26-20)12-29-19-8-7-18(24-25-19)21(27)23-16-4-3-9-28-11-16/h5-8,10,16H,3-4,9,11-12H2,1-2H3,(H,23,27)/t16-/m0/s1.

What are the key properties of 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3S)-oxan-3-yl]pyridazine-3-carboxamide?

6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3S)-oxan-3-yl]pyridazine-3-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3S)-oxan-3-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 134590430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).