3-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole

C20H18N4OS — CID 8884948

IUPAC3-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole
SMILESCCc1ccc(-c2nc(SCc3cc(-c4ccccc4)on3)n[nH]2)cc1
InChIInChI=1S/C20H18N4OS/c1-2-14-8-10-16(11-9-14)19-21-20(23-22-19)26-13-17-12-18(25-24-17)15-6-4-3-5-7-15/h3-12H,2,13H2,1H3,(H,21,22,23)
InChIKeyWHPXFOULKMZIPU-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.98
Rot. Bonds6

About 3-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole

3-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole (PubChem CID 8884948) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 3-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole
PubChem CID8884948
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name3-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole
SMILESCCc1ccc(-c2nc(SCc3cc(-c4ccccc4)on3)n[nH]2)cc1
InChIInChI=1S/C20H18N4OS/c1-2-14-8-10-16(11-9-14)19-21-20(23-22-19)26-13-17-12-18(25-24-17)15-6-4-3-5-7-15/h3-12H,2,13H2,1H3,(H,21,22,23)
InChIKeyWHPXFOULKMZIPU-UHFFFAOYSA-N
XLogP4.98
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-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 3-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole?
The IUPAC name of 3-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole (CID 8884948) is 3-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole.
What is the SMILES notation for 3-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole?
The canonical SMILES for 3-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole is CCc1ccc(-c2nc(SCc3cc(-c4ccccc4)on3)n[nH]2)cc1.
What is the InChIKey of 3-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole?
The InChIKey is WHPXFOULKMZIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-2-14-8-10-16(11-9-14)19-21-20(23-22-19)26-13-17-12-18(25-24-17)15-6-4-3-5-7-15/h3-12H,2,13H2,1H3,(H,21,22,23).
What are the key properties of 3-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole?
3-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole has a molecular weight of 362.46 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole is sourced from PubChem (CID 8884948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).