5-[[4-(2-methoxyethyl)-5-[(2-phenylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole

C23H24N4O3S — CID 43034058

IUPAC5-[[4-(2-methoxyethyl)-5-[(2-phenylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole
SMILESCOCCn1c(COc2ccccc2-c2ccccc2)nnc1SCc1cc(C)no1
InChIInChI=1S/C23H24N4O3S/c1-17-14-19(30-26-17)16-31-23-25-24-22(27(23)12-13-28-2)15-29-21-11-7-6-10-20(21)18-8-4-3-5-9-18/h3-11,14H,12-13,15-16H2,1-2H3
InChIKeyASXCWYFUWRKGDP-UHFFFAOYSA-N
MW436.54 g/mol
LogP4.76
Rot. Bonds10

About 5-[[4-(2-methoxyethyl)-5-[(2-phenylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole

5-[[4-(2-methoxyethyl)-5-[(2-phenylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole (PubChem CID 43034058) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is 5-[[4-(2-methoxyethyl)-5-[(2-phenylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[[4-(2-methoxyethyl)-5-[(2-phenylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole
PubChem CID43034058
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC Name5-[[4-(2-methoxyethyl)-5-[(2-phenylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole
SMILESCOCCn1c(COc2ccccc2-c2ccccc2)nnc1SCc1cc(C)no1
InChIInChI=1S/C23H24N4O3S/c1-17-14-19(30-26-17)16-31-23-25-24-22(27(23)12-13-28-2)15-29-21-11-7-6-10-20(21)18-8-4-3-5-9-18/h3-11,14H,12-13,15-16H2,1-2H3
InChIKeyASXCWYFUWRKGDP-UHFFFAOYSA-N
XLogP4.76
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[[4-(2-methoxyethyl)-5-[(2-phenylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole 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-[[4-(2-methoxyethyl)-5-[(2-phenylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[[4-(2-methoxyethyl)-5-[(2-phenylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole (CID 43034058) is 5-[[4-(2-methoxyethyl)-5-[(2-phenylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[[4-(2-methoxyethyl)-5-[(2-phenylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[[4-(2-methoxyethyl)-5-[(2-phenylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole is COCCn1c(COc2ccccc2-c2ccccc2)nnc1SCc1cc(C)no1.
What is the InChIKey of 5-[[4-(2-methoxyethyl)-5-[(2-phenylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole?
The InChIKey is ASXCWYFUWRKGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-17-14-19(30-26-17)16-31-23-25-24-22(27(23)12-13-28-2)15-29-21-11-7-6-10-20(21)18-8-4-3-5-9-18/h3-11,14H,12-13,15-16H2,1-2H3.
What are the key properties of 5-[[4-(2-methoxyethyl)-5-[(2-phenylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole?
5-[[4-(2-methoxyethyl)-5-[(2-phenylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole has a molecular weight of 436.54 g/mol, XLogP of 4.76, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-methoxyethyl)-5-[(2-phenylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 43034058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).