4-methyl-3-[2-(4-methylimidazol-1-yl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one

C16H15N5O2 — CID 67466258

IUPAC4-methyl-3-[2-(4-methylimidazol-1-yl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1cn(-c2nc3ccc(C4=NNC(=O)CC4C)cc3o2)cn1
InChIInChI=1S/C16H15N5O2/c1-9-5-14(22)19-20-15(9)11-3-4-12-13(6-11)23-16(18-12)21-7-10(2)17-8-21/h3-4,6-9H,5H2,1-2H3,(H,19,22)
InChIKeyFLXOYHPHHSLXTD-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.18
Rot. Bonds2

About 4-methyl-3-[2-(4-methylimidazol-1-yl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one

4-methyl-3-[2-(4-methylimidazol-1-yl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 67466258) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 4-methyl-3-[2-(4-methylimidazol-1-yl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-methyl-3-[2-(4-methylimidazol-1-yl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID67466258
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name4-methyl-3-[2-(4-methylimidazol-1-yl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1cn(-c2nc3ccc(C4=NNC(=O)CC4C)cc3o2)cn1
InChIInChI=1S/C16H15N5O2/c1-9-5-14(22)19-20-15(9)11-3-4-12-13(6-11)23-16(18-12)21-7-10(2)17-8-21/h3-4,6-9H,5H2,1-2H3,(H,19,22)
InChIKeyFLXOYHPHHSLXTD-UHFFFAOYSA-N
XLogP2.18
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-(4-methylimidazol-1-yl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 4-methyl-3-[2-(4-methylimidazol-1-yl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one (CID 67466258) is 4-methyl-3-[2-(4-methylimidazol-1-yl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 4-methyl-3-[2-(4-methylimidazol-1-yl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 4-methyl-3-[2-(4-methylimidazol-1-yl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one is Cc1cn(-c2nc3ccc(C4=NNC(=O)CC4C)cc3o2)cn1.
What is the InChIKey of 4-methyl-3-[2-(4-methylimidazol-1-yl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is FLXOYHPHHSLXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-9-5-14(22)19-20-15(9)11-3-4-12-13(6-11)23-16(18-12)21-7-10(2)17-8-21/h3-4,6-9H,5H2,1-2H3,(H,19,22).
What are the key properties of 4-methyl-3-[2-(4-methylimidazol-1-yl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one?
4-methyl-3-[2-(4-methylimidazol-1-yl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 309.33 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-(4-methylimidazol-1-yl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 67466258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).