4-chloro-2-[[3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one

C15H12ClFN4O3 — CID 169129040

IUPAC4-chloro-2-[[3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
SMILESO=c1c(Cl)ccnn1Cc1nc(C[C@H](O)c2ccc(F)cc2)no1
InChIInChI=1S/C15H12ClFN4O3/c16-11-5-6-18-21(15(11)23)8-14-19-13(20-24-14)7-12(22)9-1-3-10(17)4-2-9/h1-6,12,22H,7-8H2/t12-/m0/s1
InChIKeyYASXJIQPWVREQU-LBPRGKRZSA-N
MW350.74 g/mol
LogP1.74
Rot. Bonds5

About 4-chloro-2-[[3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one

4-chloro-2-[[3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one (PubChem CID 169129040) has the molecular formula C15H12ClFN4O3 and a molecular weight of 350.74 g/mol. Its IUPAC name is 4-chloro-2-[[3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-[[3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
PubChem CID169129040
Molecular FormulaC15H12ClFN4O3
Molecular Weight350.74 g/mol
Exact Mass350.06
IUPAC Name4-chloro-2-[[3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
SMILESO=c1c(Cl)ccnn1Cc1nc(C[C@H](O)c2ccc(F)cc2)no1
InChIInChI=1S/C15H12ClFN4O3/c16-11-5-6-18-21(15(11)23)8-14-19-13(20-24-14)7-12(22)9-1-3-10(17)4-2-9/h1-6,12,22H,7-8H2/t12-/m0/s1
InChIKeyYASXJIQPWVREQU-LBPRGKRZSA-N
XLogP1.74
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.74
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-chloro-2-[[3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-[[3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one (CID 169129040) is 4-chloro-2-[[3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-[[3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-[[3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one is O=c1c(Cl)ccnn1Cc1nc(C[C@H](O)c2ccc(F)cc2)no1.
What is the InChIKey of 4-chloro-2-[[3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
The InChIKey is YASXJIQPWVREQU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H12ClFN4O3/c16-11-5-6-18-21(15(11)23)8-14-19-13(20-24-14)7-12(22)9-1-3-10(17)4-2-9/h1-6,12,22H,7-8H2/t12-/m0/s1.
What are the key properties of 4-chloro-2-[[3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
4-chloro-2-[[3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one has a molecular weight of 350.74 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 169129040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).