3-(furan-2-yl)-5-[(1-prop-2-enylbenzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole

C17H14N4O2S — CID 37315590

IUPAC3-(furan-2-yl)-5-[(1-prop-2-enylbenzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESC=CCn1c(SCc2nc(-c3ccco3)no2)nc2ccccc21
InChIInChI=1S/C17H14N4O2S/c1-2-9-21-13-7-4-3-6-12(13)18-17(21)24-11-15-19-16(20-23-15)14-8-5-10-22-14/h2-8,10H,1,9,11H2
InChIKeyGSURIBKMDAKQCF-UHFFFAOYSA-N
MW338.39 g/mol
LogP4.16
Rot. Bonds6

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

3-(furan-2-yl)-5-[(1-prop-2-enylbenzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 37315590) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-[(1-prop-2-enylbenzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(furan-2-yl)-5-[(1-prop-2-enylbenzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID37315590
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC Name3-(furan-2-yl)-5-[(1-prop-2-enylbenzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESC=CCn1c(SCc2nc(-c3ccco3)no2)nc2ccccc21
InChIInChI=1S/C17H14N4O2S/c1-2-9-21-13-7-4-3-6-12(13)18-17(21)24-11-15-19-16(20-23-15)14-8-5-10-22-14/h2-8,10H,1,9,11H2
InChIKeyGSURIBKMDAKQCF-UHFFFAOYSA-N
XLogP4.16
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[[5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 78847445
3-(3-bromophenyl)-5-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 36750946
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-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 47154148
5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 47154142
6-bromo-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-propylquinazolin-4-one
CID 39976926
2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetonitrile
CID 84603793
2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetic acid
CID 43220154
2-(2-methylprop-2-enylsulfanyl)-1-prop-2-enylbenzimidazole
CID 46731807
5-[(1-benzylbenzimidazol-2-yl)sulfanylmethyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 5303871
N-(furan-2-ylmethylcarbamoyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 7251108
[5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102630271

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-[(1-prop-2-enylbenzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(furan-2-yl)-5-[(1-prop-2-enylbenzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole (CID 37315590) is 3-(furan-2-yl)-5-[(1-prop-2-enylbenzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(furan-2-yl)-5-[(1-prop-2-enylbenzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(furan-2-yl)-5-[(1-prop-2-enylbenzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole is C=CCn1c(SCc2nc(-c3ccco3)no2)nc2ccccc21.
What is the InChIKey of 3-(furan-2-yl)-5-[(1-prop-2-enylbenzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is GSURIBKMDAKQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-2-9-21-13-7-4-3-6-12(13)18-17(21)24-11-15-19-16(20-23-15)14-8-5-10-22-14/h2-8,10H,1,9,11H2.
What are the key properties of 3-(furan-2-yl)-5-[(1-prop-2-enylbenzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
3-(furan-2-yl)-5-[(1-prop-2-enylbenzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 338.39 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-[(1-prop-2-enylbenzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 37315590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).