N-(2,4-dimethylphenyl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide

C16H15N5O2 — CID 53162233

IUPACN-(2,4-dimethylphenyl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2nnc(-c3cnccn3)o2)c(C)c1
InChIInChI=1S/C16H15N5O2/c1-10-3-4-12(11(2)7-10)19-14(22)8-15-20-21-16(23-15)13-9-17-5-6-18-13/h3-7,9H,8H2,1-2H3,(H,19,22)
InChIKeyCOTDHYHOTHLEQY-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.32
Rot. Bonds4

About N-(2,4-dimethylphenyl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide

N-(2,4-dimethylphenyl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 53162233) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID53162233
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC NameN-(2,4-dimethylphenyl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2nnc(-c3cnccn3)o2)c(C)c1
InChIInChI=1S/C16H15N5O2/c1-10-3-4-12(11(2)7-10)19-14(22)8-15-20-21-16(23-15)13-9-17-5-6-18-13/h3-7,9H,8H2,1-2H3,(H,19,22)
InChIKeyCOTDHYHOTHLEQY-UHFFFAOYSA-N
XLogP2.32
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(Pyrazin-2-YL)-1,3,4-oxadiazol-2-YL]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 53162214
US11390631, Example 58
CID 134461209
N-[(3-chloro-4-fluorophenyl)methyl]-2-[5-(pyrazin-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 52906389
N-[(2-chloro-4-fluorophenyl)methyl]-2-[5-(pyrazin-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 52906390
2-[5-(Pyrazin-2-YL)-1,3,4-oxadiazol-2-YL]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53162215
N-(2,5-Difluorophenyl)-2-[5-(pyrazin-2-YL)-1,3,4-oxadiazol-2-YL]acetamide
CID 53162240
N-(3,4-Difluorophenyl)-2-[5-(pyrazin-2-YL)-1,3,4-oxadiazol-2-YL]acetamide
CID 53162241
N-(2-Ethylphenyl)-2-[5-(pyrazin-2-YL)-1,3,4-oxadiazol-2-YL]acetamide
CID 53162244
N-(2-Chloro-4-methylphenyl)-2-[5-(pyrazin-2-YL)-1,3,4-oxadiazol-2-YL]acetamide
CID 53162247
N-(3,5-Difluorophenyl)-2-[5-(pyrazin-2-YL)-1,3,4-oxadiazol-2-YL]acetamide
CID 53162253
N-(4-Chloro-2-methylphenyl)-2-[5-(pyrazin-2-YL)-1,3,4-oxadiazol-2-YL]acetamide
CID 53162255
N-[(4-Fluorophenyl)methyl]-2-[5-(pyrazin-2-YL)-1,3,4-oxadiazol-2-YL]acetamide
CID 53162263

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 53162233) is N-(2,4-dimethylphenyl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide is Cc1ccc(NC(=O)Cc2nnc(-c3cnccn3)o2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is COTDHYHOTHLEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-10-3-4-12(11(2)7-10)19-14(22)8-15-20-21-16(23-15)13-9-17-5-6-18-13/h3-7,9H,8H2,1-2H3,(H,19,22).
What are the key properties of N-(2,4-dimethylphenyl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
N-(2,4-dimethylphenyl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 309.33 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 53162233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).