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

C15H16N4O2S — CID 1160471

IUPAC(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCC[C@H](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)/t12-/m0/s1
InChIKeyWUWJUWMNXFOYPU-LBPRGKRZSA-N
MW316.39 g/mol
LogP3.37
Rot. Bonds5

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

(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide (PubChem CID 1160471) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
PubChem CID1160471
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCC[C@H](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)/t12-/m0/s1
InChIKeyWUWJUWMNXFOYPU-LBPRGKRZSA-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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Related Compounds

(2S)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 39746091
(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 784165
2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-methylphenyl)butanamide
CID 23772194
2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-chloro-4-methylphenyl)butanamide
CID 23942332
2-[[4-[(4-hydroxyphenyl)methyl]-5-methyl-1H-imidazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 6500454
ethyl 4-[[(2S)-2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]amino]benzoate
CID 1260086
2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 55546372
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)butanamide
CID 25332157
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)butanamide
CID 25332156
N-(5-methyl-1,2-oxazol-3-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylbutanamide
CID 16958410
(2S)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 27353118
2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)butanamide
CID 23830244

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The IUPAC name of (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide (CID 1160471) is (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The canonical SMILES for (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is CC[C@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1cc(C)on1.
What is the InChIKey of (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The InChIKey is WUWJUWMNXFOYPU-LBPRGKRZSA-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)/t12-/m0/s1.
What are the key properties of (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
(2S)-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 (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 1160471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).