5-(2,4-dichlorophenyl)-3-(4-methylsulfinylphenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidine

C19H18Cl2N4O2S — CID 67867566

IUPAC5-(2,4-dichlorophenyl)-3-(4-methylsulfinylphenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidine
SMILESCS(=O)c1ccc(N2COC(Cn3cncn3)(c3ccc(Cl)cc3Cl)C2)cc1
InChIInChI=1S/C19H18Cl2N4O2S/c1-28(26)16-5-3-15(4-6-16)24-9-19(27-13-24,10-25-12-22-11-23-25)17-7-2-14(20)8-18(17)21/h2-8,11-12H,9-10,13H2,1H3
InChIKeyJOXNWHJKJKAPNT-UHFFFAOYSA-N
MW437.35 g/mol
LogP3.71
Rot. Bonds5

About 5-(2,4-dichlorophenyl)-3-(4-methylsulfinylphenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidine

5-(2,4-dichlorophenyl)-3-(4-methylsulfinylphenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidine (PubChem CID 67867566) has the molecular formula C19H18Cl2N4O2S and a molecular weight of 437.35 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-3-(4-methylsulfinylphenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-3-(4-methylsulfinylphenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidine
PubChem CID67867566
Molecular FormulaC19H18Cl2N4O2S
Molecular Weight437.35 g/mol
Exact Mass436.05
IUPAC Name5-(2,4-dichlorophenyl)-3-(4-methylsulfinylphenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidine
SMILESCS(=O)c1ccc(N2COC(Cn3cncn3)(c3ccc(Cl)cc3Cl)C2)cc1
InChIInChI=1S/C19H18Cl2N4O2S/c1-28(26)16-5-3-15(4-6-16)24-9-19(27-13-24,10-25-12-22-11-23-25)17-7-2-14(20)8-18(17)21/h2-8,11-12H,9-10,13H2,1H3
InChIKeyJOXNWHJKJKAPNT-UHFFFAOYSA-N
XLogP3.71
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(2,4-dichlorophenyl)-3-(4-methylsulfinylphenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidine with MolForge

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Related Compounds

1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole;sulfuric acid
CID 70607270
1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]oxetan-2-yl]methyl]-1,2,4-triazole
CID 75201575
1-[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]propan-1-ol
CID 165365570
(4R,5R)-5-(2,4-dichlorophenyl)-2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidine
CID 67821810
1-[2-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]ethyl]-1,2,4-triazole
CID 70424591
1-[[2-(2,4-dichlorophenyl)-4-prop-1-en-2-yl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
CID 123238324
1-[[(2S,4R)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
CID 679165
1-[[2-(2,4-dichlorophenyl)-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylsulfonylmethyl]oxolan-2-yl]methyl]-1,2,4-triazole
CID 19995887
(4S,5R)-4-(2,4-dichlorophenyl)-5-propyl-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one
CID 3007657
1-[4-[[(2R,5R)-5-(2,4-dichlorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-2-yl]methylsulfanylmethyl]phenyl]-1,2,4-triazole
CID 18646488
1-[[2-(4-chlorophenyl)-4,4-dimethyloxolan-2-yl]methyl]-1,2,4-triazole
CID 13235855
4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-1-carboxylate;dihydrochloride
CID 20519326

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-3-(4-methylsulfinylphenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidine?
The IUPAC name of 5-(2,4-dichlorophenyl)-3-(4-methylsulfinylphenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidine (CID 67867566) is 5-(2,4-dichlorophenyl)-3-(4-methylsulfinylphenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidine.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-3-(4-methylsulfinylphenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidine?
The canonical SMILES for 5-(2,4-dichlorophenyl)-3-(4-methylsulfinylphenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidine is CS(=O)c1ccc(N2COC(Cn3cncn3)(c3ccc(Cl)cc3Cl)C2)cc1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-3-(4-methylsulfinylphenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidine?
The InChIKey is JOXNWHJKJKAPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O2S/c1-28(26)16-5-3-15(4-6-16)24-9-19(27-13-24,10-25-12-22-11-23-25)17-7-2-14(20)8-18(17)21/h2-8,11-12H,9-10,13H2,1H3.
What are the key properties of 5-(2,4-dichlorophenyl)-3-(4-methylsulfinylphenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidine?
5-(2,4-dichlorophenyl)-3-(4-methylsulfinylphenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidine has a molecular weight of 437.35 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-3-(4-methylsulfinylphenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidine is sourced from PubChem (CID 67867566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).