4-[[5-(3-methoxyazetidin-1-yl)-3H-pyridazin-2-yl]methyl]-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole

C17H21N5O3 — CID 146275155

IUPAC4-[[5-(3-methoxyazetidin-1-yl)-3H-pyridazin-2-yl]methyl]-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole
SMILESCOC1CN(C2=CCN(Cc3c(-c4cc(C)on4)noc3C)N=C2)C1
InChIInChI=1S/C17H21N5O3/c1-11-6-16(19-24-11)17-15(12(2)25-20-17)10-22-5-4-13(7-18-22)21-8-14(9-21)23-3/h4,6-7,14H,5,8-10H2,1-3H3
InChIKeyCQBXDHCFJNHPQY-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.96
Rot. Bonds5

About 4-[[5-(3-methoxyazetidin-1-yl)-3H-pyridazin-2-yl]methyl]-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole

4-[[5-(3-methoxyazetidin-1-yl)-3H-pyridazin-2-yl]methyl]-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole (PubChem CID 146275155) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-[[5-(3-methoxyazetidin-1-yl)-3H-pyridazin-2-yl]methyl]-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole.

Molecular Properties

Compound Name4-[[5-(3-methoxyazetidin-1-yl)-3H-pyridazin-2-yl]methyl]-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole
PubChem CID146275155
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name4-[[5-(3-methoxyazetidin-1-yl)-3H-pyridazin-2-yl]methyl]-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole
SMILESCOC1CN(C2=CCN(Cc3c(-c4cc(C)on4)noc3C)N=C2)C1
InChIInChI=1S/C17H21N5O3/c1-11-6-16(19-24-11)17-15(12(2)25-20-17)10-22-5-4-13(7-18-22)21-8-14(9-21)23-3/h4,6-7,14H,5,8-10H2,1-3H3
InChIKeyCQBXDHCFJNHPQY-UHFFFAOYSA-N
XLogP1.96
TPSA80.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[5-(3-methoxyazetidin-1-yl)-3H-pyridazin-2-yl]methyl]-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole with MolForge

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Related Compounds

4-(chloromethyl)-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole
CID 146272852
ethyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate
CID 134367383
5-[(2R,4R)-4-methoxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128966068
[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 128982599
[5-chloro-2-(3-methoxyazetidin-1-yl)-4-pyridinyl]methanol
CID 167434559
5-[3-(2,2-difluoroethoxy)azetidin-1-yl]-2-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methyl]pyridazin-3-one
CID 146272775
3-[5-chloro-4-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrazol-3-yl]-5-methyl-1,2-oxazole
CID 131941768
6-(3-methoxyazetidin-1-yl)-4-methylpyridin-3-amine
CID 130546644
1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine
CID 65250257
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 91819244
4-[2-[[3-(5-methyl-1,2-oxazol-3-yl)azetidin-1-yl]methyl]phenyl]morpholine
CID 166290301
1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 110629122

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-methoxyazetidin-1-yl)-3H-pyridazin-2-yl]methyl]-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole?
The IUPAC name of 4-[[5-(3-methoxyazetidin-1-yl)-3H-pyridazin-2-yl]methyl]-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole (CID 146275155) is 4-[[5-(3-methoxyazetidin-1-yl)-3H-pyridazin-2-yl]methyl]-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole.
What is the SMILES notation for 4-[[5-(3-methoxyazetidin-1-yl)-3H-pyridazin-2-yl]methyl]-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole?
The canonical SMILES for 4-[[5-(3-methoxyazetidin-1-yl)-3H-pyridazin-2-yl]methyl]-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole is COC1CN(C2=CCN(Cc3c(-c4cc(C)on4)noc3C)N=C2)C1.
What is the InChIKey of 4-[[5-(3-methoxyazetidin-1-yl)-3H-pyridazin-2-yl]methyl]-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole?
The InChIKey is CQBXDHCFJNHPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-11-6-16(19-24-11)17-15(12(2)25-20-17)10-22-5-4-13(7-18-22)21-8-14(9-21)23-3/h4,6-7,14H,5,8-10H2,1-3H3.
What are the key properties of 4-[[5-(3-methoxyazetidin-1-yl)-3H-pyridazin-2-yl]methyl]-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole?
4-[[5-(3-methoxyazetidin-1-yl)-3H-pyridazin-2-yl]methyl]-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole has a molecular weight of 343.39 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-methoxyazetidin-1-yl)-3H-pyridazin-2-yl]methyl]-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole is sourced from PubChem (CID 146275155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).