2-methyl-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazol-3-one

C20H24N4O3 — CID 58902198

IUPAC2-methyl-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazol-3-one
SMILESCc1ccc(N2CCC(CCOc3ccc4c(=O)n(C)oc4c3)CC2)nn1
InChIInChI=1S/C20H24N4O3/c1-14-3-6-19(22-21-14)24-10-7-15(8-11-24)9-12-26-16-4-5-17-18(13-16)27-23(2)20(17)25/h3-6,13,15H,7-12H2,1-2H3
InChIKeyWJHQLGVMTPHJSP-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.92
Rot. Bonds5

About 2-methyl-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazol-3-one

2-methyl-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazol-3-one (PubChem CID 58902198) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-methyl-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazol-3-one.

Molecular Properties

Compound Name2-methyl-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazol-3-one
PubChem CID58902198
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-methyl-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazol-3-one
SMILESCc1ccc(N2CCC(CCOc3ccc4c(=O)n(C)oc4c3)CC2)nn1
InChIInChI=1S/C20H24N4O3/c1-14-3-6-19(22-21-14)24-10-7-15(8-11-24)9-12-26-16-4-5-17-18(13-16)27-23(2)20(17)25/h3-6,13,15H,7-12H2,1-2H3
InChIKeyWJHQLGVMTPHJSP-UHFFFAOYSA-N
XLogP2.92
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methyl-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazol-3-one with MolForge

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Related Compounds

3-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazole
CID 504457
3-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazole;phosphoric acid
CID 67234865
3-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-2,1-benzoxazole;sulfuric acid
CID 67025069
5-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-2-propoxy-1,3-benzothiazole
CID 504445
2-ethylsulfanyl-5-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,3-benzothiazole
CID 504444
5-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 15045183
6-[2-[1-(6-chloro-5-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-2-ethoxy-1,3-benzoxazole
CID 504454
5-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-3-pentyl-1,2,4-oxadiazole
CID 15045185
3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propan-1-ol
CID 19773570
3-[4-(bromomethyl)piperidin-1-yl]-6-methylpyridazine
CID 80670031
1-(6-methylpyridazin-3-yl)piperidin-4-amine
CID 61311173
N-[2-(4-methylphenoxy)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118974

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazol-3-one?
The IUPAC name of 2-methyl-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazol-3-one (CID 58902198) is 2-methyl-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazol-3-one.
What is the SMILES notation for 2-methyl-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazol-3-one?
The canonical SMILES for 2-methyl-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazol-3-one is Cc1ccc(N2CCC(CCOc3ccc4c(=O)n(C)oc4c3)CC2)nn1.
What is the InChIKey of 2-methyl-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazol-3-one?
The InChIKey is WJHQLGVMTPHJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14-3-6-19(22-21-14)24-10-7-15(8-11-24)9-12-26-16-4-5-17-18(13-16)27-23(2)20(17)25/h3-6,13,15H,7-12H2,1-2H3.
What are the key properties of 2-methyl-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazol-3-one?
2-methyl-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazol-3-one has a molecular weight of 368.44 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazol-3-one is sourced from PubChem (CID 58902198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).