[2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone;1H-pyrazole

C22H22N6O2 — CID 176989548

IUPAC[2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone;1H-pyrazole
SMILESO=C(c1coc(Cc2ccc(-c3ccccc3)nn2)n1)N1CCCC1.c1cn[nH]c1
InChIInChI=1S/C19H18N4O2.C3H4N2/c24-19(23-10-4-5-11-23)17-13-25-18(20-17)12-15-8-9-16(22-21-15)14-6-2-1-3-7-14;1-2-4-5-3-1/h1-3,6-9,13H,4-5,10-12H2;1-3H,(H,4,5)
InChIKeyKGVGNZVGSAYHMB-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.37
Rot. Bonds4

About [2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone;1H-pyrazole

[2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone;1H-pyrazole (PubChem CID 176989548) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is [2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone;1H-pyrazole.

Molecular Properties

Compound Name[2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone;1H-pyrazole
PubChem CID176989548
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name[2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone;1H-pyrazole
SMILESO=C(c1coc(Cc2ccc(-c3ccccc3)nn2)n1)N1CCCC1.c1cn[nH]c1
InChIInChI=1S/C19H18N4O2.C3H4N2/c24-19(23-10-4-5-11-23)17-13-25-18(20-17)12-15-8-9-16(22-21-15)14-6-2-1-3-7-14;1-2-4-5-3-1/h1-3,6-9,13H,4-5,10-12H2;1-3H,(H,4,5)
InChIKeyKGVGNZVGSAYHMB-UHFFFAOYSA-N
XLogP3.37
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone;1H-pyrazole with MolForge

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Related Compounds

3-fluoro-1-[2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carbonitrile
CID 176989505
azepan-1-yl-(6-phenylpyridazin-3-yl)methanone
CID 113200597
2-[[6-(2-fluorophenyl)pyridazin-3-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 176989569
[(2S,3S)-3-[[3-hydroxy-1-[2-[[6-(1H-pyrazol-4-yl)pyridazin-3-yl]methyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]methoxy]-2-methylazetidin-1-yl]-[2-[[6-(triazol-2-yl)pyridazin-3-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 176989319
[2-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 1199776
azocan-1-yl-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone
CID 42509334
2-[(4-phenylphenyl)methyl]-1,3-oxazole-4-carboxylic acid
CID 176989464
azocan-1-yl-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone
CID 25282286
1-(2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 119137409
piperidin-1-yl-(2-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 141385532
4-[[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-1,4-benzothiazin-3-one
CID 42786262
[2-(2-aminoethyl)-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 3854320

Frequently Asked Questions

What is the IUPAC name of [2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone;1H-pyrazole?
The IUPAC name of [2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone;1H-pyrazole (CID 176989548) is [2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone;1H-pyrazole.
What is the SMILES notation for [2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone;1H-pyrazole?
The canonical SMILES for [2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone;1H-pyrazole is O=C(c1coc(Cc2ccc(-c3ccccc3)nn2)n1)N1CCCC1.c1cn[nH]c1.
What is the InChIKey of [2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone;1H-pyrazole?
The InChIKey is KGVGNZVGSAYHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2.C3H4N2/c24-19(23-10-4-5-11-23)17-13-25-18(20-17)12-15-8-9-16(22-21-15)14-6-2-1-3-7-14;1-2-4-5-3-1/h1-3,6-9,13H,4-5,10-12H2;1-3H,(H,4,5).
What are the key properties of [2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone;1H-pyrazole?
[2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone;1H-pyrazole has a molecular weight of 402.46 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone;1H-pyrazole is sourced from PubChem (CID 176989548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).