3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide

C17H21N7O2 — CID 122292723

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
SMILESCc1noc(C)c1CCC(=O)NCCNc1ccc(-n2cccn2)nn1
InChIInChI=1S/C17H21N7O2/c1-12-14(13(2)26-23-12)4-7-17(25)19-10-9-18-15-5-6-16(22-21-15)24-11-3-8-20-24/h3,5-6,8,11H,4,7,9-10H2,1-2H3,(H,18,21)(H,19,25)
InChIKeyOPFPKJGBPHRPQU-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.43
Rot. Bonds8

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide (PubChem CID 122292723) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
PubChem CID122292723
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
SMILESCc1noc(C)c1CCC(=O)NCCNc1ccc(-n2cccn2)nn1
InChIInChI=1S/C17H21N7O2/c1-12-14(13(2)26-23-12)4-7-17(25)19-10-9-18-15-5-6-16(22-21-15)24-11-3-8-20-24/h3,5-6,8,11H,4,7,9-10H2,1-2H3,(H,18,21)(H,19,25)
InChIKeyOPFPKJGBPHRPQU-UHFFFAOYSA-N
XLogP1.43
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
CID 122292805
2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292649
2-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292745
3-(3-chlorophenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
CID 122292804
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
CID 122323835
2-ethyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]butanamide
CID 16654552
2-[methyl(methylsulfonyl)amino]-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292782
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide
CID 122327087
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]propanamide
CID 122315502
(E)-3-(2-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]prop-2-enamide
CID 122292858
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292825
1-(3-fluoro-4-methylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 47000825

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide (CID 122292723) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide is Cc1noc(C)c1CCC(=O)NCCNc1ccc(-n2cccn2)nn1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide?
The InChIKey is OPFPKJGBPHRPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-12-14(13(2)26-23-12)4-7-17(25)19-10-9-18-15-5-6-16(22-21-15)24-11-3-8-20-24/h3,5-6,8,11H,4,7,9-10H2,1-2H3,(H,18,21)(H,19,25).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide has a molecular weight of 355.40 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide is sourced from PubChem (CID 122292723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).