N-(1H-benzimidazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide

C15H16N4O2S — CID 18107989

IUPACN-(1H-benzimidazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
SMILESCc1noc(C)c1CSCC(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C15H16N4O2S/c1-9-11(10(2)21-19-9)7-22-8-14(20)18-15-16-12-5-3-4-6-13(12)17-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,20)
InChIKeyOHENYKYTKMXJSP-UHFFFAOYSA-N
MW316.39 g/mol
LogP3.04
Rot. Bonds5

About N-(1H-benzimidazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide

N-(1H-benzimidazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide (PubChem CID 18107989) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
PubChem CID18107989
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC NameN-(1H-benzimidazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
SMILESCc1noc(C)c1CSCC(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C15H16N4O2S/c1-9-11(10(2)21-19-9)7-22-8-14(20)18-15-16-12-5-3-4-6-13(12)17-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,20)
InChIKeyOHENYKYTKMXJSP-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 18168523
N-(1H-benzimidazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 30476401
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 78843398
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 31527103
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide
CID 18168504
N-(3-cyanophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 18166286
N-tert-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 51139661
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 4788646
2-acetamido-N-(1H-benzimidazol-2-yl)acetamide
CID 60652558
N-cyano-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 79194350
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
CID 110909081
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922368

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide (CID 18107989) is N-(1H-benzimidazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide is Cc1noc(C)c1CSCC(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
The InChIKey is OHENYKYTKMXJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-9-11(10(2)21-19-9)7-22-8-14(20)18-15-16-12-5-3-4-6-13(12)17-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,20).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
N-(1H-benzimidazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide has a molecular weight of 316.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 18107989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).