5-methyl-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-3-carboxamide

C15H20N6O2 — CID 122321196

IUPAC5-methyl-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCNc2cc(N3CCCC3)cnn2)no1
InChIInChI=1S/C15H20N6O2/c1-11-8-13(20-23-11)15(22)17-5-4-16-14-9-12(10-18-19-14)21-6-2-3-7-21/h8-10H,2-7H2,1H3,(H,16,19)(H,17,22)
InChIKeyMLPCZNUCFPZMQI-UHFFFAOYSA-N
MW316.37 g/mol
LogP1.22
Rot. Bonds6

About 5-methyl-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 122321196) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 5-methyl-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-3-carboxamide
PubChem CID122321196
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name5-methyl-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCNc2cc(N3CCCC3)cnn2)no1
InChIInChI=1S/C15H20N6O2/c1-11-8-13(20-23-11)15(22)17-5-4-16-14-9-12(10-18-19-14)21-6-2-3-7-21/h8-10H,2-7H2,1H3,(H,16,19)(H,17,22)
InChIKeyMLPCZNUCFPZMQI-UHFFFAOYSA-N
XLogP1.22
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-methyl-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]propanamide
CID 122321151
N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-carboxamide
CID 122321030
N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 122321037
2,4,5-trifluoro-3-methoxy-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 122321243
2-(4-methoxyphenoxy)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321167
2-(4-methoxy-3-methylphenyl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321241
N-[2-oxo-2-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethylamino]ethyl]benzamide
CID 122321055
1-(2,3-dimethylphenyl)-3-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 122321078
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]cyclobutanecarboxamide
CID 122321586
3-fluoro-4-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 122321616
N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]-4-thiophen-2-ylbenzamide
CID 122321244
5-methyl-N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1,2-oxazole-3-carboxamide
CID 122290860

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-3-carboxamide (CID 122321196) is 5-methyl-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCCNc2cc(N3CCCC3)cnn2)no1.
What is the InChIKey of 5-methyl-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is MLPCZNUCFPZMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-11-8-13(20-23-11)15(22)17-5-4-16-14-9-12(10-18-19-14)21-6-2-3-7-21/h8-10H,2-7H2,1H3,(H,16,19)(H,17,22).
What are the key properties of 5-methyl-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 122321196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).