N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide

C19H22N4O4 — CID 126939204

About N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide

N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide (PubChem CID 126939204) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
• PubChem CID: 126939204
• Molecular Formula: C19H22N4O4
• Molecular Weight: 370.41 g/mol
• Exact Mass: 370.16
• IUPAC Name: N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
• SMILES: O=C(NC1COCC1n1nc2c(cc1=O)CCC2)c1onc2c1CCCC2
• InChI: InChI=1S/C19H22N4O4/c24-17-8-11-4-3-7-13(11)21-23(17)16-10-26-9-15(16)20-19(25)18-12-5-1-2-6-14(12)22-27-18/h8,15-16H,1-7,9-10H2,(H,20,25)
• InChIKey: LVZCBOXVOHSMCM-UHFFFAOYSA-N
• XLogP: 0.97
• TPSA: 99.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.41
LogP ≤ 5	0.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?

The IUPAC name of N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide (CID 126939204) is N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide.

What is the SMILES notation for N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?

The canonical SMILES for N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide is O=C(NC1COCC1n1nc2c(cc1=O)CCC2)c1onc2c1CCCC2.

What is the InChIKey of N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?

The InChIKey is LVZCBOXVOHSMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c24-17-8-11-4-3-7-13(11)21-23(17)16-10-26-9-15(16)20-19(25)18-12-5-1-2-6-14(12)22-27-18/h8,15-16H,1-7,9-10H2,(H,20,25).

What are the key properties of N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?

N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide is sourced from PubChem (CID 126939204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).