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

C19H16N4O2S — CID 17395571

IUPAC3-(2-methoxyphenyl)-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole
SMILESCOc1ccccc1-c1cc(CSc2n[nH]c(-c3ccccc3)n2)on1
InChIInChI=1S/C19H16N4O2S/c1-24-17-10-6-5-9-15(17)16-11-14(25-23-16)12-26-19-20-18(21-22-19)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,20,21,22)
InChIKeyFQEKMACODQYZJY-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.43
Rot. Bonds6

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

3-(2-methoxyphenyl)-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole (PubChem CID 17395571) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole
PubChem CID17395571
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name3-(2-methoxyphenyl)-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole
SMILESCOc1ccccc1-c1cc(CSc2n[nH]c(-c3ccccc3)n2)on1
InChIInChI=1S/C19H16N4O2S/c1-24-17-10-6-5-9-15(17)16-11-14(25-23-16)12-26-19-20-18(21-22-19)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,20,21,22)
InChIKeyFQEKMACODQYZJY-UHFFFAOYSA-N
XLogP4.43
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole?
The IUPAC name of 3-(2-methoxyphenyl)-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole (CID 17395571) is 3-(2-methoxyphenyl)-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole.
What is the SMILES notation for 3-(2-methoxyphenyl)-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole?
The canonical SMILES for 3-(2-methoxyphenyl)-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole is COc1ccccc1-c1cc(CSc2n[nH]c(-c3ccccc3)n2)on1.
What is the InChIKey of 3-(2-methoxyphenyl)-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole?
The InChIKey is FQEKMACODQYZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-24-17-10-6-5-9-15(17)16-11-14(25-23-16)12-26-19-20-18(21-22-19)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,20,21,22).
What are the key properties of 3-(2-methoxyphenyl)-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole?
3-(2-methoxyphenyl)-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole has a molecular weight of 364.43 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole is sourced from PubChem (CID 17395571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).