tert-butyl N-[6-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyridazin-3-yl]carbamate

C16H23N5O3 — CID 126829098

About tert-butyl N-[6-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyridazin-3-yl]carbamate

tert-butyl N-[6-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyridazin-3-yl]carbamate (PubChem CID 126829098) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is tert-butyl N-[6-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyridazin-3-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[6-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyridazin-3-yl]carbamate
• PubChem CID: 126829098
• Molecular Formula: C16H23N5O3
• Molecular Weight: 333.39 g/mol
• Exact Mass: 333.18
• IUPAC Name: tert-butyl N-[6-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyridazin-3-yl]carbamate
• SMILES: Cc1cc(CN(C)Cc2ccc(NC(=O)OC(C)(C)C)nn2)no1
• InChI: InChI=1S/C16H23N5O3/c1-11-8-13(20-24-11)10-21(5)9-12-6-7-14(19-18-12)17-15(22)23-16(2,3)4/h6-8H,9-10H2,1-5H3,(H,17,19,22)
• InChIKey: PZDKOADGSPDYIL-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 93.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.39
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyridazin-3-yl]carbamate?

The IUPAC name of tert-butyl N-[6-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyridazin-3-yl]carbamate (CID 126829098) is tert-butyl N-[6-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyridazin-3-yl]carbamate.

What is the SMILES notation for tert-butyl N-[6-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyridazin-3-yl]carbamate?

The canonical SMILES for tert-butyl N-[6-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyridazin-3-yl]carbamate is Cc1cc(CN(C)Cc2ccc(NC(=O)OC(C)(C)C)nn2)no1.

What is the InChIKey of tert-butyl N-[6-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyridazin-3-yl]carbamate?

The InChIKey is PZDKOADGSPDYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-11-8-13(20-24-11)10-21(5)9-12-6-7-14(19-18-12)17-15(22)23-16(2,3)4/h6-8H,9-10H2,1-5H3,(H,17,19,22).

What are the key properties of tert-butyl N-[6-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyridazin-3-yl]carbamate?

tert-butyl N-[6-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyridazin-3-yl]carbamate has a molecular weight of 333.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[6-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyridazin-3-yl]carbamate is sourced from PubChem (CID 126829098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).