(5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone

C17H22N6O2 — CID 122334399

IUPAC(5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCc1oncc1C(=O)N1CCN(c2ccc(N3CCCC3)nn2)CC1
InChIInChI=1S/C17H22N6O2/c1-13-14(12-18-25-13)17(24)23-10-8-22(9-11-23)16-5-4-15(19-20-16)21-6-2-3-7-21/h4-5,12H,2-3,6-11H2,1H3
InChIKeyZCSMBHUYZXBXBU-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.34
Rot. Bonds3

About (5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone

(5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 122334399) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID122334399
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name(5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCc1oncc1C(=O)N1CCN(c2ccc(N3CCCC3)nn2)CC1
InChIInChI=1S/C17H22N6O2/c1-13-14(12-18-25-13)17(24)23-10-8-22(9-11-23)16-5-4-15(19-20-16)21-6-2-3-7-21/h4-5,12H,2-3,6-11H2,1H3
InChIKeyZCSMBHUYZXBXBU-UHFFFAOYSA-N
XLogP1.34
TPSA78.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-methyl-1,2-oxazol-4-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333073
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 122281359
(2,5-dimethylphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121053805
(2,4-dimethylphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121053795
(5-methyl-1,2-oxazol-3-yl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334658
[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 122340314
(5-methylpyrazin-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334455
(2-fluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292349
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 121027881
(4,4-difluoropiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 121184594
[4-(2-fluorocyclopentyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 126856147
phenyl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121038151

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 122334399) is (5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is Cc1oncc1C(=O)N1CCN(c2ccc(N3CCCC3)nn2)CC1.
What is the InChIKey of (5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is ZCSMBHUYZXBXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-13-14(12-18-25-13)17(24)23-10-8-22(9-11-23)16-5-4-15(19-20-16)21-6-2-3-7-21/h4-5,12H,2-3,6-11H2,1H3.
What are the key properties of (5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
(5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 342.40 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122334399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).