5-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole

C12H11N5O2S — CID 47154148

IUPAC5-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
SMILESc1coc(-c2noc(CSc3nncn3C3CC3)n2)c1
InChIInChI=1S/C12H11N5O2S/c1-2-9(18-5-1)11-14-10(19-16-11)6-20-12-15-13-7-17(12)8-3-4-8/h1-2,5,7-8H,3-4,6H2
InChIKeyWRIDNZSOYMCWRZ-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.55
Rot. Bonds5

About 5-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole

5-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole (PubChem CID 47154148) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 5-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
PubChem CID47154148
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC Name5-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
SMILESc1coc(-c2noc(CSc3nncn3C3CC3)n2)c1
InChIInChI=1S/C12H11N5O2S/c1-2-9(18-5-1)11-14-10(19-16-11)6-20-12-15-13-7-17(12)8-3-4-8/h1-2,5,7-8H,3-4,6H2
InChIKeyWRIDNZSOYMCWRZ-UHFFFAOYSA-N
XLogP2.55
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 47154142
2-[3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]ethanamine
CID 65294448
[5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102630271
3-(furan-2-yl)-5-[[4-(furan-2-ylmethyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 39976963
5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 47153877
3-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-1,2,4-oxadiazole
CID 86916256
3-(furan-2-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 37314754
3-(furan-2-yl)-5-[(1-prop-2-enylbenzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 37315590
1-cyclopropyl-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
CID 87022799
5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 55552695
3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 37202045
5-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 30777342

Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole (CID 47154148) is 5-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole is c1coc(-c2noc(CSc3nncn3C3CC3)n2)c1.
What is the InChIKey of 5-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
The InChIKey is WRIDNZSOYMCWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c1-2-9(18-5-1)11-14-10(19-16-11)6-20-12-15-13-7-17(12)8-3-4-8/h1-2,5,7-8H,3-4,6H2.
What are the key properties of 5-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
5-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole has a molecular weight of 289.32 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 47154148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).