2-(2-oxo-1,3-oxazolidin-3-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide

C14H17N7O3 — CID 122292825

IUPAC2-(2-oxo-1,3-oxazolidin-3-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
SMILESO=C(CN1CCOC1=O)NCCNc1ccc(-n2cccn2)nn1
InChIInChI=1S/C14H17N7O3/c22-13(10-20-8-9-24-14(20)23)16-6-5-15-11-2-3-12(19-18-11)21-7-1-4-17-21/h1-4,7H,5-6,8-10H2,(H,15,18)(H,16,22)
InChIKeyHHNKVUXZQVJAER-UHFFFAOYSA-N
MW331.34 g/mol
LogP-0.36
Rot. Bonds7

About 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide

2-(2-oxo-1,3-oxazolidin-3-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide (PubChem CID 122292825) has the molecular formula C14H17N7O3 and a molecular weight of 331.34 g/mol. Its IUPAC name is 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-oxazolidin-3-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
PubChem CID122292825
Molecular FormulaC14H17N7O3
Molecular Weight331.34 g/mol
Exact Mass331.14
IUPAC Name2-(2-oxo-1,3-oxazolidin-3-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
SMILESO=C(CN1CCOC1=O)NCCNc1ccc(-n2cccn2)nn1
InChIInChI=1S/C14H17N7O3/c22-13(10-20-8-9-24-14(20)23)16-6-5-15-11-2-3-12(19-18-11)21-7-1-4-17-21/h1-4,7H,5-6,8-10H2,(H,15,18)(H,16,22)
InChIKeyHHNKVUXZQVJAER-UHFFFAOYSA-N
XLogP-0.36
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 5-0.36
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

2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292649
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292864
2-ethyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]butanamide
CID 16654552
2-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292745
2-[methyl(methylsulfonyl)amino]-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292782
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
CID 122292723
3-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
CID 122292805
3-(3-chlorophenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
CID 122292804
benzyl N-[2-oxo-2-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethylamino]ethyl]carbamate
CID 122292820
5-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide
CID 122292729
2-chloro-4-fluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 16654523
1-methylsulfonyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]piperidine-4-carboxamide
CID 122292675

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
The IUPAC name of 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide (CID 122292825) is 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
The canonical SMILES for 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide is O=C(CN1CCOC1=O)NCCNc1ccc(-n2cccn2)nn1.
What is the InChIKey of 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
The InChIKey is HHNKVUXZQVJAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O3/c22-13(10-20-8-9-24-14(20)23)16-6-5-15-11-2-3-12(19-18-11)21-7-1-4-17-21/h1-4,7H,5-6,8-10H2,(H,15,18)(H,16,22).
What are the key properties of 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide has a molecular weight of 331.34 g/mol, XLogP of -0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide is sourced from PubChem (CID 122292825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).