2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide

C15H16N4O2S — CID 644472

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCCC(Sc1nc2ccccc2[nH]1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C15H16N4O2S/c1-3-12(14(20)18-13-8-9(2)21-19-13)22-15-16-10-6-4-5-7-11(10)17-15/h4-8,12H,3H2,1-2H3,(H,16,17)(H,18,19,20)
InChIKeyWUWJUWMNXFOYPU-UHFFFAOYSA-N
MW316.39 g/mol
LogP3.37
Rot. Bonds5

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide (PubChem CID 644472) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
PubChem CID644472
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCCC(Sc1nc2ccccc2[nH]1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C15H16N4O2S/c1-3-12(14(20)18-13-8-9(2)21-19-13)22-15-16-10-6-4-5-7-11(10)17-15/h4-8,12H,3H2,1-2H3,(H,16,17)(H,18,19,20)
InChIKeyWUWJUWMNXFOYPU-UHFFFAOYSA-N
XLogP3.37
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide (CID 644472) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is CCC(Sc1nc2ccccc2[nH]1)C(=O)Nc1cc(C)on1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The InChIKey is WUWJUWMNXFOYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-3-12(14(20)18-13-8-9(2)21-19-13)22-15-16-10-6-4-5-7-11(10)17-15/h4-8,12H,3H2,1-2H3,(H,16,17)(H,18,19,20).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide has a molecular weight of 316.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 644472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).