2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide

C20H23N5O3S — CID 95799317

IUPAC2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCc1cc(-c2cc(=O)n(CC(=O)NCCN3CCCC3)nc2-c2cccs2)on1
InChIInChI=1S/C20H23N5O3S/c1-14-11-16(28-23-14)15-12-19(27)25(22-20(15)17-5-4-10-29-17)13-18(26)21-6-9-24-7-2-3-8-24/h4-5,10-12H,2-3,6-9,13H2,1H3,(H,21,26)
InChIKeyVIEOJYBLUFGXDQ-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.15
Rot. Bonds7

About 2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide

2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 95799317) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
PubChem CID95799317
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Name2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCc1cc(-c2cc(=O)n(CC(=O)NCCN3CCCC3)nc2-c2cccs2)on1
InChIInChI=1S/C20H23N5O3S/c1-14-11-16(28-23-14)15-12-19(27)25(22-20(15)17-5-4-10-29-17)13-18(26)21-6-9-24-7-2-3-8-24/h4-5,10-12H,2-3,6-9,13H2,1H3,(H,21,26)
InChIKeyVIEOJYBLUFGXDQ-UHFFFAOYSA-N
XLogP2.15
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-methoxyethyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide
CID 95799106
N-(2-fluorophenyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide
CID 46960501
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(3-methyl-1,2-oxazol-5-yl)-6-thiophen-2-ylpyridazin-3-one
CID 95799108
N-(6-methoxy-3-pyridinyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide
CID 95799115
2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-propylacetamide
CID 95799655
2-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-5-(3-methyl-1,2-oxazol-5-yl)-6-thiophen-2-ylpyridazin-3-one
CID 110215136
2-[2-(3,3-dimethyl-4,7-dihydro-2H-azepin-1-yl)-2-oxoethyl]-5-(3-methyl-1,2-oxazol-5-yl)-6-thiophen-2-ylpyridazin-3-one
CID 95799307
2-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-5-(3-methyl-1,2-oxazol-5-yl)-6-thiophen-2-ylpyridazin-3-one
CID 95799109
2-[(4-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-6-thiophen-2-ylpyridazin-3-one
CID 95799144
N-(3-ethoxypropyl)-2-[3-(furan-2-yl)-4-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazin-1-yl]acetamide
CID 46950718
N-[2-(azepan-1-yl)ethyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 20906368
2-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 121169761

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide (CID 95799317) is 2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide is Cc1cc(-c2cc(=O)n(CC(=O)NCCN3CCCC3)nc2-c2cccs2)on1.
What is the InChIKey of 2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is VIEOJYBLUFGXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-14-11-16(28-23-14)15-12-19(27)25(22-20(15)17-5-4-10-29-17)13-18(26)21-6-9-24-7-2-3-8-24/h4-5,10-12H,2-3,6-9,13H2,1H3,(H,21,26).
What are the key properties of 2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 413.50 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 95799317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).