2-(4-ethylsulfanylphenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide

C17H16N4O2S — CID 18586867

IUPAC2-(4-ethylsulfanylphenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCCSc1ccc(CC(=O)Nc2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C17H16N4O2S/c1-2-24-14-7-5-12(6-8-14)10-15(22)19-17-21-20-16(23-17)13-4-3-9-18-11-13/h3-9,11H,2,10H2,1H3,(H,19,21,22)
InChIKeyHPUKOZITXJOFCM-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.42
Rot. Bonds6

About 2-(4-ethylsulfanylphenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide

2-(4-ethylsulfanylphenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 18586867) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-(4-ethylsulfanylphenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfanylphenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID18586867
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name2-(4-ethylsulfanylphenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCCSc1ccc(CC(=O)Nc2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C17H16N4O2S/c1-2-24-14-7-5-12(6-8-14)10-15(22)19-17-21-20-16(23-17)13-4-3-9-18-11-13/h3-9,11H,2,10H2,1H3,(H,19,21,22)
InChIKeyHPUKOZITXJOFCM-UHFFFAOYSA-N
XLogP3.42
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide
CID 16854452
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide
CID 43976548
2-(4-ethylsulfanylphenyl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 41139504
N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pentanamide
CID 4621791
2-(4-ethylsulfanylphenyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 18586837
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide
CID 16823783
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylsulfanylphenyl)acetamide
CID 16854449
2-(4-methylphenyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16854851
2-(4-ethylsulfanylphenyl)-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]acetamide
CID 144539996
N-[3,5-dichloro-4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 134180127
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 43975494
2-(4-fluorophenyl)-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 11609085

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfanylphenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-ethylsulfanylphenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 18586867) is 2-(4-ethylsulfanylphenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-ethylsulfanylphenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-ethylsulfanylphenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide is CCSc1ccc(CC(=O)Nc2nnc(-c3cccnc3)o2)cc1.
What is the InChIKey of 2-(4-ethylsulfanylphenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is HPUKOZITXJOFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-2-24-14-7-5-12(6-8-14)10-15(22)19-17-21-20-16(23-17)13-4-3-9-18-11-13/h3-9,11H,2,10H2,1H3,(H,19,21,22).
What are the key properties of 2-(4-ethylsulfanylphenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide?
2-(4-ethylsulfanylphenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 340.41 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfanylphenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 18586867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).