5-[1-(2-methylfuran-3-yl)sulfanylethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole

C11H11N5O2S — CID 91649242

IUPAC5-[1-(2-methylfuran-3-yl)sulfanylethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESCc1occc1SC(C)c1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C11H11N5O2S/c1-6-8(3-4-17-6)19-7(2)11-14-10(16-18-11)9-12-5-13-15-9/h3-5,7H,1-2H3,(H,12,13,15)
InChIKeyCKPYSUZFPVLMRX-UHFFFAOYSA-N
MW277.31 g/mol
LogP2.61
Rot. Bonds4

About 5-[1-(2-methylfuran-3-yl)sulfanylethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole

5-[1-(2-methylfuran-3-yl)sulfanylethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (PubChem CID 91649242) has the molecular formula C11H11N5O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is 5-[1-(2-methylfuran-3-yl)sulfanylethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(2-methylfuran-3-yl)sulfanylethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
PubChem CID91649242
Molecular FormulaC11H11N5O2S
Molecular Weight277.31 g/mol
Exact Mass277.06
IUPAC Name5-[1-(2-methylfuran-3-yl)sulfanylethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESCc1occc1SC(C)c1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C11H11N5O2S/c1-6-8(3-4-17-6)19-7(2)11-14-10(16-18-11)9-12-5-13-15-9/h3-5,7H,1-2H3,(H,12,13,15)
InChIKeyCKPYSUZFPVLMRX-UHFFFAOYSA-N
XLogP2.61
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methylfuran-3-yl)sulfanylethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(2-methylfuran-3-yl)sulfanylethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (CID 91649242) is 5-[1-(2-methylfuran-3-yl)sulfanylethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(2-methylfuran-3-yl)sulfanylethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(2-methylfuran-3-yl)sulfanylethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is Cc1occc1SC(C)c1nc(-c2ncn[nH]2)no1.
What is the InChIKey of 5-[1-(2-methylfuran-3-yl)sulfanylethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is CKPYSUZFPVLMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2S/c1-6-8(3-4-17-6)19-7(2)11-14-10(16-18-11)9-12-5-13-15-9/h3-5,7H,1-2H3,(H,12,13,15).
What are the key properties of 5-[1-(2-methylfuran-3-yl)sulfanylethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
5-[1-(2-methylfuran-3-yl)sulfanylethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 277.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methylfuran-3-yl)sulfanylethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 91649242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).