[3-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]phenyl]methanol

C17H15N5O4S2 — CID 142685802

IUPAC[3-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]phenyl]methanol
SMILESCn1c(-c2cccs2)nnc1S(=O)(=O)Cc1noc(-c2cccc(CO)c2)n1
InChIInChI=1S/C17H15N5O4S2/c1-22-15(13-6-3-7-27-13)19-20-17(22)28(24,25)10-14-18-16(26-21-14)12-5-2-4-11(8-12)9-23/h2-8,23H,9-10H2,1H3
InChIKeyJOSCRYBLJWKGJE-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.06
Rot. Bonds6

About [3-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]phenyl]methanol

[3-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]phenyl]methanol (PubChem CID 142685802) has the molecular formula C17H15N5O4S2 and a molecular weight of 417.47 g/mol. Its IUPAC name is [3-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]phenyl]methanol
PubChem CID142685802
Molecular FormulaC17H15N5O4S2
Molecular Weight417.47 g/mol
Exact Mass417.06
IUPAC Name[3-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]phenyl]methanol
SMILESCn1c(-c2cccs2)nnc1S(=O)(=O)Cc1noc(-c2cccc(CO)c2)n1
InChIInChI=1S/C17H15N5O4S2/c1-22-15(13-6-3-7-27-13)19-20-17(22)28(24,25)10-14-18-16(26-21-14)12-5-2-4-11(8-12)9-23/h2-8,23H,9-10H2,1H3
InChIKeyJOSCRYBLJWKGJE-UHFFFAOYSA-N
XLogP2.06
TPSA124.00 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of [3-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]phenyl]methanol?
The IUPAC name of [3-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]phenyl]methanol (CID 142685802) is [3-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]phenyl]methanol.
What is the SMILES notation for [3-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]phenyl]methanol?
The canonical SMILES for [3-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]phenyl]methanol is Cn1c(-c2cccs2)nnc1S(=O)(=O)Cc1noc(-c2cccc(CO)c2)n1.
What is the InChIKey of [3-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]phenyl]methanol?
The InChIKey is JOSCRYBLJWKGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O4S2/c1-22-15(13-6-3-7-27-13)19-20-17(22)28(24,25)10-14-18-16(26-21-14)12-5-2-4-11(8-12)9-23/h2-8,23H,9-10H2,1H3.
What are the key properties of [3-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]phenyl]methanol?
[3-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]phenyl]methanol has a molecular weight of 417.47 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]phenyl]methanol is sourced from PubChem (CID 142685802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).