2-(furan-2-yl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole

C15H12N4O3S — CID 7152403

IUPAC2-(furan-2-yl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESCOc1ccc2nc(SCc3nnc(-c4ccco4)o3)[nH]c2c1
InChIInChI=1S/C15H12N4O3S/c1-20-9-4-5-10-11(7-9)17-15(16-10)23-8-13-18-19-14(22-13)12-3-2-6-21-12/h2-7H,8H2,1H3,(H,16,17)
InChIKeySOUKBTNIMMUJQP-UHFFFAOYSA-N
MW328.35 g/mol
LogP3.51
Rot. Bonds5

About 2-(furan-2-yl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole

2-(furan-2-yl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 7152403) has the molecular formula C15H12N4O3S and a molecular weight of 328.35 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID7152403
Molecular FormulaC15H12N4O3S
Molecular Weight328.35 g/mol
Exact Mass328.06
IUPAC Name2-(furan-2-yl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESCOc1ccc2nc(SCc3nnc(-c4ccco4)o3)[nH]c2c1
InChIInChI=1S/C15H12N4O3S/c1-20-9-4-5-10-11(7-9)17-15(16-10)23-8-13-18-19-14(22-13)12-3-2-6-21-12/h2-7H,8H2,1H3,(H,16,17)
InChIKeySOUKBTNIMMUJQP-UHFFFAOYSA-N
XLogP3.51
TPSA89.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(furan-2-yl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 40553724
2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 35431011
2-[[4-(furan-2-ylmethylsulfanyl)-6-methyl-2-pyridinyl]methylsulfanyl]-6-methoxy-1H-benzimidazole
CID 67759688
2-(3,5-dimethoxyphenyl)-5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 7683396
3-(2,6-dimethoxyphenyl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 9430026
6-methoxy-2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 752045
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 653645
6-methoxy-2-propylsulfanyl-1H-benzimidazole
CID 2650025
5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole
CID 18099720
2-[(6-chloropyridazin-3-yl)methylsulfanyl]-6-methoxy-1H-benzimidazole
CID 104514315
2-[(4-chloro-2-pyridinyl)methylsulfanyl]-6-methoxy-1H-benzimidazole
CID 79245493
6-methoxy-2-[(3-nitrophenyl)methylsulfanyl]-1H-benzimidazole
CID 2650606

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(furan-2-yl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole (CID 7152403) is 2-(furan-2-yl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(furan-2-yl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(furan-2-yl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole is COc1ccc2nc(SCc3nnc(-c4ccco4)o3)[nH]c2c1.
What is the InChIKey of 2-(furan-2-yl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is SOUKBTNIMMUJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3S/c1-20-9-4-5-10-11(7-9)17-15(16-10)23-8-13-18-19-14(22-13)12-3-2-6-21-12/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of 2-(furan-2-yl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
2-(furan-2-yl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 328.35 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 7152403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).