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

C15H12Cl2N4O3 — CID 170089310

IUPAC4-chloro-2-[[3-[(1S)-2-(4-chlorophenyl)-1-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
SMILESO=c1c(Cl)ccnn1Cc1nc([C@@H](O)Cc2ccc(Cl)cc2)no1
InChIInChI=1S/C15H12Cl2N4O3/c16-10-3-1-9(2-4-10)7-12(22)14-19-13(24-20-14)8-21-15(23)11(17)5-6-18-21/h1-6,12,22H,7-8H2/t12-/m0/s1
InChIKeyPTURCARQDYIZCJ-LBPRGKRZSA-N
MW367.19 g/mol
LogP2.26
Rot. Bonds5

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

4-chloro-2-[[3-[(1S)-2-(4-chlorophenyl)-1-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one (PubChem CID 170089310) has the molecular formula C15H12Cl2N4O3 and a molecular weight of 367.19 g/mol. Its IUPAC name is 4-chloro-2-[[3-[(1S)-2-(4-chlorophenyl)-1-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-[[3-[(1S)-2-(4-chlorophenyl)-1-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
PubChem CID170089310
Molecular FormulaC15H12Cl2N4O3
Molecular Weight367.19 g/mol
Exact Mass366.03
IUPAC Name4-chloro-2-[[3-[(1S)-2-(4-chlorophenyl)-1-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
SMILESO=c1c(Cl)ccnn1Cc1nc([C@@H](O)Cc2ccc(Cl)cc2)no1
InChIInChI=1S/C15H12Cl2N4O3/c16-10-3-1-9(2-4-10)7-12(22)14-19-13(24-20-14)8-21-15(23)11(17)5-6-18-21/h1-6,12,22H,7-8H2/t12-/m0/s1
InChIKeyPTURCARQDYIZCJ-LBPRGKRZSA-N
XLogP2.26
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[3-[(1S)-2-(4-chlorophenyl)-1-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-[[3-[(1S)-2-(4-chlorophenyl)-1-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one (CID 170089310) is 4-chloro-2-[[3-[(1S)-2-(4-chlorophenyl)-1-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-[[3-[(1S)-2-(4-chlorophenyl)-1-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-[[3-[(1S)-2-(4-chlorophenyl)-1-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one is O=c1c(Cl)ccnn1Cc1nc([C@@H](O)Cc2ccc(Cl)cc2)no1.
What is the InChIKey of 4-chloro-2-[[3-[(1S)-2-(4-chlorophenyl)-1-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
The InChIKey is PTURCARQDYIZCJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H12Cl2N4O3/c16-10-3-1-9(2-4-10)7-12(22)14-19-13(24-20-14)8-21-15(23)11(17)5-6-18-21/h1-6,12,22H,7-8H2/t12-/m0/s1.
What are the key properties of 4-chloro-2-[[3-[(1S)-2-(4-chlorophenyl)-1-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
4-chloro-2-[[3-[(1S)-2-(4-chlorophenyl)-1-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one has a molecular weight of 367.19 g/mol, XLogP of 2.26, 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-[(1S)-2-(4-chlorophenyl)-1-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 170089310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).