2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one

C16H23N5O2 — CID 29257142

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one
SMILESCc1noc(C)c1Cn1ncc(N2CCCN(C)CC2)cc1=O
InChIInChI=1S/C16H23N5O2/c1-12-15(13(2)23-18-12)11-21-16(22)9-14(10-17-21)20-6-4-5-19(3)7-8-20/h9-10H,4-8,11H2,1-3H3
InChIKeyCJXDXBDMVYRYIU-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.04
Rot. Bonds3

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one (PubChem CID 29257142) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one
PubChem CID29257142
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one
SMILESCc1noc(C)c1Cn1ncc(N2CCCN(C)CC2)cc1=O
InChIInChI=1S/C16H23N5O2/c1-12-15(13(2)23-18-12)11-21-16(22)9-14(10-17-21)20-6-4-5-19(3)7-8-20/h9-10H,4-8,11H2,1-3H3
InChIKeyCJXDXBDMVYRYIU-UHFFFAOYSA-N
XLogP1.04
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one with MolForge

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
CID 72893188
2-(2-hydroxyethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 114396424
2-(4-chlorobutyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 114394284
5-(4-methylpiperazin-1-yl)-2-(2-methyl-3-sulfanylpropyl)pyridazin-3-one
CID 114398963
2-(3-hydroxy-2-methylpropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 114396453
5-(4-methylpiperazin-1-yl)-2-(5-oxohexyl)pyridazin-3-one
CID 114396148
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 72930044
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one
CID 45229995
2-[2-(benzimidazol-1-yl)ethyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one
CID 72894863
4-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]butanenitrile
CID 114395673
2-[[(3S)-1-methylpiperidin-3-yl]methyl]-5-piperidin-1-ylpyridazin-3-one
CID 97194937
N-methyl-2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]-N-[1-(1,2-oxazol-3-yl)ethyl]acetamide
CID 72916404

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one (CID 29257142) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one is Cc1noc(C)c1Cn1ncc(N2CCCN(C)CC2)cc1=O.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one?
The InChIKey is CJXDXBDMVYRYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-12-15(13(2)23-18-12)11-21-16(22)9-14(10-17-21)20-6-4-5-19(3)7-8-20/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one has a molecular weight of 317.39 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one is sourced from PubChem (CID 29257142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).