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

C15H12ClN5O2 — CID 53162247

IUPACN-(2-chloro-4-methylphenyl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2nnc(-c3cnccn3)o2)c(Cl)c1
InChIInChI=1S/C15H12ClN5O2/c1-9-2-3-11(10(16)6-9)19-13(22)7-14-20-21-15(23-14)12-8-17-4-5-18-12/h2-6,8H,7H2,1H3,(H,19,22)
InChIKeyIOQBGABTPOWPRW-UHFFFAOYSA-N
MW329.75 g/mol
LogP2.67
Rot. Bonds4

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

N-(2-chloro-4-methylphenyl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 53162247) has the molecular formula C15H12ClN5O2 and a molecular weight of 329.75 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID53162247
Molecular FormulaC15H12ClN5O2
Molecular Weight329.75 g/mol
Exact Mass329.07
IUPAC NameN-(2-chloro-4-methylphenyl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2nnc(-c3cnccn3)o2)c(Cl)c1
InChIInChI=1S/C15H12ClN5O2/c1-9-2-3-11(10(16)6-9)19-13(22)7-14-20-21-15(23-14)12-8-17-4-5-18-12/h2-6,8H,7H2,1H3,(H,19,22)
InChIKeyIOQBGABTPOWPRW-UHFFFAOYSA-N
XLogP2.67
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 53162247) is N-(2-chloro-4-methylphenyl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide is Cc1ccc(NC(=O)Cc2nnc(-c3cnccn3)o2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is IOQBGABTPOWPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O2/c1-9-2-3-11(10(16)6-9)19-13(22)7-14-20-21-15(23-14)12-8-17-4-5-18-12/h2-6,8H,7H2,1H3,(H,19,22).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
N-(2-chloro-4-methylphenyl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 329.75 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 53162247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).