2-[[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide

C13H13N5O2S — CID 1467867

IUPAC2-[[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1nnc(-c2ccc3nc[nH]c3c2)o1
InChIInChI=1S/C13H13N5O2S/c1-18(2)11(19)6-21-13-17-16-12(20-13)8-3-4-9-10(5-8)15-7-14-9/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyOINUDTGSTJMRBS-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.79
Rot. Bonds4

About 2-[[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide

2-[[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide (PubChem CID 1467867) has the molecular formula C13H13N5O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is 2-[[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
PubChem CID1467867
Molecular FormulaC13H13N5O2S
Molecular Weight303.35 g/mol
Exact Mass303.08
IUPAC Name2-[[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1nnc(-c2ccc3nc[nH]c3c2)o1
InChIInChI=1S/C13H13N5O2S/c1-18(2)11(19)6-21-13-17-16-12(20-13)8-3-4-9-10(5-8)15-7-14-9/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyOINUDTGSTJMRBS-UHFFFAOYSA-N
XLogP1.79
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide with MolForge

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Related Compounds

2-(3H-benzimidazol-5-yl)-5-prop-2-enylsulfanyl-1,3,4-oxadiazole
CID 25024286
N,N-dimethyl-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1084433
2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
CID 78765982
2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 29065644
N,N-dimethyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7981720
2-[[2-[[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]acetic acid
CID 67715416
2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-phenylacetamide
CID 7805622
2-[[5-(2,3-dimethyl-1H-indol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide
CID 1374137
3-(3H-benzimidazol-5-yl)-N,N-dimethylbenzamide
CID 175533007
2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 859864
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 861507
2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 861528

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide (CID 1467867) is 2-[[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide is CN(C)C(=O)CSc1nnc(-c2ccc3nc[nH]c3c2)o1.
What is the InChIKey of 2-[[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide?
The InChIKey is OINUDTGSTJMRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S/c1-18(2)11(19)6-21-13-17-16-12(20-13)8-3-4-9-10(5-8)15-7-14-9/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-[[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide?
2-[[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide has a molecular weight of 303.35 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide is sourced from PubChem (CID 1467867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).