5-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one

C19H17ClN4O3S — CID 4650433

IUPAC5-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(-n2c(SCC3CNC(=O)O3)nnc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H17ClN4O3S/c1-26-15-8-6-14(7-9-15)24-17(12-2-4-13(20)5-3-12)22-23-18(24)28-11-16-10-21-19(25)27-16/h2-9,16H,10-11H2,1H3,(H,21,25)
InChIKeyGVNJFYLCXHKWCQ-UHFFFAOYSA-N
MW416.89 g/mol
LogP3.80
Rot. Bonds6

About 5-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one

5-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one (PubChem CID 4650433) has the molecular formula C19H17ClN4O3S and a molecular weight of 416.89 g/mol. Its IUPAC name is 5-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one
PubChem CID4650433
Molecular FormulaC19H17ClN4O3S
Molecular Weight416.89 g/mol
Exact Mass416.07
IUPAC Name5-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(-n2c(SCC3CNC(=O)O3)nnc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H17ClN4O3S/c1-26-15-8-6-14(7-9-15)24-17(12-2-4-13(20)5-3-12)22-23-18(24)28-11-16-10-21-19(25)27-16/h2-9,16H,10-11H2,1H3,(H,21,25)
InChIKeyGVNJFYLCXHKWCQ-UHFFFAOYSA-N
XLogP3.80
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.89
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-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 5-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one (CID 4650433) is 5-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one is COc1ccc(-n2c(SCC3CNC(=O)O3)nnc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one?
The InChIKey is GVNJFYLCXHKWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3S/c1-26-15-8-6-14(7-9-15)24-17(12-2-4-13(20)5-3-12)22-23-18(24)28-11-16-10-21-19(25)27-16/h2-9,16H,10-11H2,1H3,(H,21,25).
What are the key properties of 5-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one?
5-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one has a molecular weight of 416.89 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 4650433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).