N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide

C12H17N5O2S — CID 119067241

IUPACN-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide
SMILESCc1noc(CSCC(=O)NC(C)c2ncc(C)[nH]2)n1
InChIInChI=1S/C12H17N5O2S/c1-7-4-13-12(14-7)8(2)15-10(18)5-20-6-11-16-9(3)17-19-11/h4,8H,5-6H2,1-3H3,(H,13,14)(H,15,18)
InChIKeyBKLFNQRXOXLFQV-UHFFFAOYSA-N
MW295.37 g/mol
LogP1.52
Rot. Bonds6

About N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide

N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide (PubChem CID 119067241) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide
PubChem CID119067241
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC NameN-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide
SMILESCc1noc(CSCC(=O)NC(C)c2ncc(C)[nH]2)n1
InChIInChI=1S/C12H17N5O2S/c1-7-4-13-12(14-7)8(2)15-10(18)5-20-6-11-16-9(3)17-19-11/h4,8H,5-6H2,1-3H3,(H,13,14)(H,15,18)
InChIKeyBKLFNQRXOXLFQV-UHFFFAOYSA-N
XLogP1.52
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethoxyphenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 91792347
2-(benzotriazol-2-yl)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 125435660
N-(1-phenylethyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide
CID 42951167
2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 38638875
2-indazol-2-yl-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 122572191
2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 131947582
N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 125444590
N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide
CID 125439324
N-[(1S)-1-phenylethyl]-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide
CID 51724996
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylacetamide
CID 110677310
2-[(3-methylphenyl)methylsulfanyl]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103722961
2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103722948

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide?
The IUPAC name of N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide (CID 119067241) is N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide is Cc1noc(CSCC(=O)NC(C)c2ncc(C)[nH]2)n1.
What is the InChIKey of N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide?
The InChIKey is BKLFNQRXOXLFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-7-4-13-12(14-7)8(2)15-10(18)5-20-6-11-16-9(3)17-19-11/h4,8H,5-6H2,1-3H3,(H,13,14)(H,15,18).
What are the key properties of N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide?
N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide has a molecular weight of 295.37 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 119067241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).