5-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]oxy]-2-(oxan-2-yl)-4-pyrrolidin-1-ylpyridazin-3-one

C23H27N5O4 — CID 175860889

IUPAC5-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]oxy]-2-(oxan-2-yl)-4-pyrrolidin-1-ylpyridazin-3-one
SMILESCc1noc(C)c1-c1ccnc(Oc2cnn(C3CCCCO3)c(=O)c2N2CCCC2)c1
InChIInChI=1S/C23H27N5O4/c1-15-21(16(2)32-26-15)17-8-9-24-19(13-17)31-18-14-25-28(20-7-3-6-12-30-20)23(29)22(18)27-10-4-5-11-27/h8-9,13-14,20H,3-7,10-12H2,1-2H3
InChIKeySKEQAOJLDXYCSD-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.00
Rot. Bonds5

About 5-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]oxy]-2-(oxan-2-yl)-4-pyrrolidin-1-ylpyridazin-3-one

5-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]oxy]-2-(oxan-2-yl)-4-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 175860889) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 5-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]oxy]-2-(oxan-2-yl)-4-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name5-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]oxy]-2-(oxan-2-yl)-4-pyrrolidin-1-ylpyridazin-3-one
PubChem CID175860889
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name5-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]oxy]-2-(oxan-2-yl)-4-pyrrolidin-1-ylpyridazin-3-one
SMILESCc1noc(C)c1-c1ccnc(Oc2cnn(C3CCCCO3)c(=O)c2N2CCCC2)c1
InChIInChI=1S/C23H27N5O4/c1-15-21(16(2)32-26-15)17-8-9-24-19(13-17)31-18-14-25-28(20-7-3-6-12-30-20)23(29)22(18)27-10-4-5-11-27/h8-9,13-14,20H,3-7,10-12H2,1-2H3
InChIKeySKEQAOJLDXYCSD-UHFFFAOYSA-N
XLogP4.00
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]oxy]-2-(oxan-2-yl)-4-pyrrolidin-1-ylpyridazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

4-chloro-5-methoxy-2-(oxan-2-yl)pyridazin-3-one
CID 10610335
4-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(oxan-2-yl)pyridazin-3-one
CID 162507624
5-(2-methoxy-4-pyridinyl)-1-(oxan-2-yl)-7-oxido-6-propan-2-ylpyrazolo[4,3-g]isoquinolin-7-ium
CID 166772105
7-bromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine
CID 121228983
4-bromo-5-methyl-2-(oxan-2-yl)pyridazin-3-one;ethane
CID 143487583
5-bromo-3-(2-methoxy-4-pyridinyl)-1-(oxan-2-yl)indazole
CID 166551429
[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 155983856
(3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 167020381
N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide
CID 53054200
8-cyclobutyloxy-5-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)-6-(oxan-4-yl)pyrazolo[4,3-g]isoquinoline
CID 156879528
N-cyclohexyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenyl]imidazo[1,2-a]pyrazin-3-amine
CID 132585236
4,5-dichloro-2-[(2R)-oxan-2-yl]pyridazin-3-one
CID 97110887

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]oxy]-2-(oxan-2-yl)-4-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 5-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]oxy]-2-(oxan-2-yl)-4-pyrrolidin-1-ylpyridazin-3-one (CID 175860889) is 5-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]oxy]-2-(oxan-2-yl)-4-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 5-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]oxy]-2-(oxan-2-yl)-4-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 5-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]oxy]-2-(oxan-2-yl)-4-pyrrolidin-1-ylpyridazin-3-one is Cc1noc(C)c1-c1ccnc(Oc2cnn(C3CCCCO3)c(=O)c2N2CCCC2)c1.
What is the InChIKey of 5-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]oxy]-2-(oxan-2-yl)-4-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is SKEQAOJLDXYCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-15-21(16(2)32-26-15)17-8-9-24-19(13-17)31-18-14-25-28(20-7-3-6-12-30-20)23(29)22(18)27-10-4-5-11-27/h8-9,13-14,20H,3-7,10-12H2,1-2H3.
What are the key properties of 5-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]oxy]-2-(oxan-2-yl)-4-pyrrolidin-1-ylpyridazin-3-one?
5-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]oxy]-2-(oxan-2-yl)-4-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 437.50 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]oxy]-2-(oxan-2-yl)-4-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 175860889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).