2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide

C21H19N5O2S — CID 7250827

IUPAC2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1[nH]c(SCC(=O)Nc2nnc(-c3ccccc3)o2)nc1Cc1ccccc1
InChIInChI=1S/C21H19N5O2S/c1-14-17(12-15-8-4-2-5-9-15)23-21(22-14)29-13-18(27)24-20-26-25-19(28-20)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,22,23)(H,24,26,27)
InChIKeyHPNDCOVDSSQSRU-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.09
Rot. Bonds7

About 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide

2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 7250827) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID7250827
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC Name2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1[nH]c(SCC(=O)Nc2nnc(-c3ccccc3)o2)nc1Cc1ccccc1
InChIInChI=1S/C21H19N5O2S/c1-14-17(12-15-8-4-2-5-9-15)23-21(22-14)29-13-18(27)24-20-26-25-19(28-20)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,22,23)(H,24,26,27)
InChIKeyHPNDCOVDSSQSRU-UHFFFAOYSA-N
XLogP4.09
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetylphenyl)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 17017890
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 135794457
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7250950
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide
CID 6472561
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(3-methylbutan-2-yl)acetamide
CID 42982161
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-cyclopropylacetamide
CID 7250927
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 40524641
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-cycloheptylacetamide
CID 7250949
3-[[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-N,N-dimethylbenzamide
CID 30150069
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 17404499
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide
CID 40524672
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 28594540

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide (CID 7250827) is 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide is Cc1[nH]c(SCC(=O)Nc2nnc(-c3ccccc3)o2)nc1Cc1ccccc1.
What is the InChIKey of 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is HPNDCOVDSSQSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-14-17(12-15-8-4-2-5-9-15)23-21(22-14)29-13-18(27)24-20-26-25-19(28-20)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,22,23)(H,24,26,27).
What are the key properties of 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide?
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 405.48 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 7250827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).