(2R)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]oxolane-2-carboxamide

C15H17N3O3S — CID 95807296

IUPAC(2R)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]oxolane-2-carboxamide
SMILESO=C(NCCn1nc(-c2cccs2)ccc1=O)[C@H]1CCCO1
InChIInChI=1S/C15H17N3O3S/c19-14-6-5-11(13-4-2-10-22-13)17-18(14)8-7-16-15(20)12-3-1-9-21-12/h2,4-6,10,12H,1,3,7-9H2,(H,16,20)/t12-/m1/s1
InChIKeyMSEOXNKZTNVVSP-GFCCVEGCSA-N
MW319.39 g/mol
LogP1.27
Rot. Bonds5

About (2R)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]oxolane-2-carboxamide

(2R)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]oxolane-2-carboxamide (PubChem CID 95807296) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is (2R)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]oxolane-2-carboxamide
PubChem CID95807296
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name(2R)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]oxolane-2-carboxamide
SMILESO=C(NCCn1nc(-c2cccs2)ccc1=O)[C@H]1CCCO1
InChIInChI=1S/C15H17N3O3S/c19-14-6-5-11(13-4-2-10-22-13)17-18(14)8-7-16-15(20)12-3-1-9-21-12/h2,4-6,10,12H,1,3,7-9H2,(H,16,20)/t12-/m1/s1
InChIKeyMSEOXNKZTNVVSP-GFCCVEGCSA-N
XLogP1.27
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]oxolane-2-carboxamide
CID 95807295
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]oxolane-2-carboxamide
CID 110219221
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
CID 121034554
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071245
3-fluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
CID 16905666
2,6-dimethoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
CID 16905728
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]naphthalene-1-carboxamide
CID 16905679
2-(4-methylphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propanamide
CID 16675150
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 121071767
3-methoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
CID 16905657
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 121034526
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide
CID 121169632

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]oxolane-2-carboxamide (CID 95807296) is (2R)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]oxolane-2-carboxamide is O=C(NCCn1nc(-c2cccs2)ccc1=O)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]oxolane-2-carboxamide?
The InChIKey is MSEOXNKZTNVVSP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N3O3S/c19-14-6-5-11(13-4-2-10-22-13)17-18(14)8-7-16-15(20)12-3-1-9-21-12/h2,4-6,10,12H,1,3,7-9H2,(H,16,20)/t12-/m1/s1.
What are the key properties of (2R)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]oxolane-2-carboxamide?
(2R)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]oxolane-2-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 95807296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).