tert-butyl 4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C25H29N5O4 — CID 156635668

About tert-butyl 4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 156635668) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is tert-butyl 4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
• PubChem CID: 156635668
• Molecular Formula: C25H29N5O4
• Molecular Weight: 463.54 g/mol
• Exact Mass: 463.22
• IUPAC Name: tert-butyl 4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
• SMILES: Cc1ccc(-c2noc(C)c2Cn2ncc(C3=CCN(C(=O)OC(C)(C)C)CC3)cc2=O)cn1
• InChI: InChI=1S/C25H29N5O4/c1-16-6-7-19(13-26-16)23-21(17(2)34-28-23)15-30-22(31)12-20(14-27-30)18-8-10-29(11-9-18)24(32)33-25(3,4)5/h6-8,12-14H,9-11,15H2,1-5H3
• InChIKey: WNZACTNRXSATJB-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 103.35 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.54
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?

The IUPAC name of tert-butyl 4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 156635668) is tert-butyl 4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is Cc1ccc(-c2noc(C)c2Cn2ncc(C3=CCN(C(=O)OC(C)(C)C)CC3)cc2=O)cn1.

What is the InChIKey of tert-butyl 4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?

The InChIKey is WNZACTNRXSATJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4/c1-16-6-7-19(13-26-16)23-21(17(2)34-28-23)15-30-22(31)12-20(14-27-30)18-8-10-29(11-9-18)24(32)33-25(3,4)5/h6-8,12-14H,9-11,15H2,1-5H3.

What are the key properties of tert-butyl 4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?

tert-butyl 4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 463.54 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 156635668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).