2-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

C20H21N5O3 — CID 126926021

IUPAC2-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESCc1noc(C)c1C(=O)N1CCCC1Cn1nc(-c2ccncc2)ccc1=O
InChIInChI=1S/C20H21N5O3/c1-13-19(14(2)28-23-13)20(27)24-11-3-4-16(24)12-25-18(26)6-5-17(22-25)15-7-9-21-10-8-15/h5-10,16H,3-4,11-12H2,1-2H3
InChIKeyAZQZFPDIZHFKLN-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.21
Rot. Bonds4

About 2-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

2-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 126926021) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID126926021
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name2-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESCc1noc(C)c1C(=O)N1CCCC1Cn1nc(-c2ccncc2)ccc1=O
InChIInChI=1S/C20H21N5O3/c1-13-19(14(2)28-23-13)20(27)24-11-3-4-16(24)12-25-18(26)6-5-17(22-25)15-7-9-21-10-8-15/h5-10,16H,3-4,11-12H2,1-2H3
InChIKeyAZQZFPDIZHFKLN-UHFFFAOYSA-N
XLogP2.21
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one with MolForge

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Related Compounds

2-[[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925665
2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926063
6-pyridin-4-yl-2-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126926091
6-cyclopropyl-2-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923415
2-[[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926192
2-[[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926223
2-[[1-(morpholine-4-carbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925649
2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926154
2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929655
(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 125005114
2-[[1-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926238
6-pyridin-4-yl-2-[[1-[2-(triazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926226

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (CID 126926021) is 2-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is Cc1noc(C)c1C(=O)N1CCCC1Cn1nc(-c2ccncc2)ccc1=O.
What is the InChIKey of 2-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is AZQZFPDIZHFKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-13-19(14(2)28-23-13)20(27)24-11-3-4-16(24)12-25-18(26)6-5-17(22-25)15-7-9-21-10-8-15/h5-10,16H,3-4,11-12H2,1-2H3.
What are the key properties of 2-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
2-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 379.42 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126926021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).