5-[4-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-2-methylpyridazin-3-one

C16H21N5O3 — CID 29215038

IUPAC5-[4-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCCc1noc(C)c1C(=O)N1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C16H21N5O3/c1-4-13-15(11(2)24-18-13)16(23)21-7-5-20(6-8-21)12-9-14(22)19(3)17-10-12/h9-10H,4-8H2,1-3H3
InChIKeyYNXOVPXZYRTGLN-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.60
Rot. Bonds3

About 5-[4-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-2-methylpyridazin-3-one

5-[4-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-2-methylpyridazin-3-one (PubChem CID 29215038) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-[4-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-2-methylpyridazin-3-one
PubChem CID29215038
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name5-[4-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCCc1noc(C)c1C(=O)N1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C16H21N5O3/c1-4-13-15(11(2)24-18-13)16(23)21-7-5-20(6-8-21)12-9-14(22)19(3)17-10-12/h9-10H,4-8H2,1-3H3
InChIKeyYNXOVPXZYRTGLN-UHFFFAOYSA-N
XLogP0.60
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[4-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-2-methylpyridazin-3-one (CID 29215038) is 5-[4-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[4-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[4-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-2-methylpyridazin-3-one is CCc1noc(C)c1C(=O)N1CCN(c2cnn(C)c(=O)c2)CC1.
What is the InChIKey of 5-[4-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is YNXOVPXZYRTGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-4-13-15(11(2)24-18-13)16(23)21-7-5-20(6-8-21)12-9-14(22)19(3)17-10-12/h9-10H,4-8H2,1-3H3.
What are the key properties of 5-[4-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-2-methylpyridazin-3-one?
5-[4-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 331.38 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 29215038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).