4-chloro-5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpyridazin-3-one

C17H16ClFN4O2 — CID 138038811

IUPAC4-chloro-5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCC(c3noc4cc(F)ccc34)CC2)c(Cl)c1=O
InChIInChI=1S/C17H16ClFN4O2/c1-22-17(24)15(18)13(9-20-22)23-6-4-10(5-7-23)16-12-3-2-11(19)8-14(12)25-21-16/h2-3,8-10H,4-7H2,1H3
InChIKeyDBHZIMBFXAPNKA-UHFFFAOYSA-N
MW362.79 g/mol
LogP3.10
Rot. Bonds2

About 4-chloro-5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpyridazin-3-one

4-chloro-5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpyridazin-3-one (PubChem CID 138038811) has the molecular formula C17H16ClFN4O2 and a molecular weight of 362.79 g/mol. Its IUPAC name is 4-chloro-5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpyridazin-3-one
PubChem CID138038811
Molecular FormulaC17H16ClFN4O2
Molecular Weight362.79 g/mol
Exact Mass362.09
IUPAC Name4-chloro-5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCC(c3noc4cc(F)ccc34)CC2)c(Cl)c1=O
InChIInChI=1S/C17H16ClFN4O2/c1-22-17(24)15(18)13(9-20-22)23-6-4-10(5-7-23)16-12-3-2-11(19)8-14(12)25-21-16/h2-3,8-10H,4-7H2,1H3
InChIKeyDBHZIMBFXAPNKA-UHFFFAOYSA-N
XLogP3.10
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.79
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-chloropiperidin-4-yl)-6-fluoro-1,2-benzoxazole
CID 89080294
4-chloro-5-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 71861488
6-fluoro-3-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]-1,2-benzoxazole
CID 163352118
4-ethyl-5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methylideneisoindol-1-one
CID 67626377
3-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 155980403
6-fluoro-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1,2-benzoxazole
CID 163344185
6-fluoro-3-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2-benzoxazole
CID 138038804
6-fluoro-3-(1-methylpiperidin-4-yl)-1,2-benzoxazole;6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;methane;hydrochloride
CID 159928028
6-fluoro-3-(1-heptylpiperidin-4-yl)-1,2-benzoxazole
CID 174359166
4-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione
CID 14576394
(Z)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]but-2-enedioic acid
CID 67070819
6-fluoro-3-[1-(3-methoxy-4-methyl-2-propoxyphenyl)piperidin-4-yl]-1,2-benzoxazole
CID 57303749

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpyridazin-3-one (CID 138038811) is 4-chloro-5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpyridazin-3-one is Cn1ncc(N2CCC(c3noc4cc(F)ccc34)CC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is DBHZIMBFXAPNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4O2/c1-22-17(24)15(18)13(9-20-22)23-6-4-10(5-7-23)16-12-3-2-11(19)8-14(12)25-21-16/h2-3,8-10H,4-7H2,1H3.
What are the key properties of 4-chloro-5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpyridazin-3-one?
4-chloro-5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 362.79 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 138038811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).