N-(3-methylphenyl)-3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

C17H16N4O2S — CID 3976039

IUPACN-(3-methylphenyl)-3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESCc1cccc(NC(=O)CCSc2nnc(-c3ccccn3)o2)c1
InChIInChI=1S/C17H16N4O2S/c1-12-5-4-6-13(11-12)19-15(22)8-10-24-17-21-20-16(23-17)14-7-2-3-9-18-14/h2-7,9,11H,8,10H2,1H3,(H,19,22)
InChIKeyRNSFJUJIKZMVEN-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.56
Rot. Bonds6

About N-(3-methylphenyl)-3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

N-(3-methylphenyl)-3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (PubChem CID 3976039) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
PubChem CID3976039
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-(3-methylphenyl)-3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESCc1cccc(NC(=O)CCSc2nnc(-c3ccccn3)o2)c1
InChIInChI=1S/C17H16N4O2S/c1-12-5-4-6-13(11-12)19-15(22)8-10-24-17-21-20-16(23-17)14-7-2-3-9-18-14/h2-7,9,11H,8,10H2,1H3,(H,19,22)
InChIKeyRNSFJUJIKZMVEN-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide
CID 46683441
3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid
CID 1467896
3-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide
CID 30099546
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 7211382
N-(3-methylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 645555
N-(3-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7165769
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3454294
N-(3-chlorophenyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330310
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 5030464
N-phenyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330293
3-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-(3-methylphenyl)propanamide
CID 131901508
1-morpholin-4-yl-3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one
CID 3955284

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(3-methylphenyl)-3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (CID 3976039) is N-(3-methylphenyl)-3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(3-methylphenyl)-3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(3-methylphenyl)-3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is Cc1cccc(NC(=O)CCSc2nnc(-c3ccccn3)o2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is RNSFJUJIKZMVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-12-5-4-6-13(11-12)19-15(22)8-10-24-17-21-20-16(23-17)14-7-2-3-9-18-14/h2-7,9,11H,8,10H2,1H3,(H,19,22).
What are the key properties of N-(3-methylphenyl)-3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
N-(3-methylphenyl)-3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 340.41 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 3976039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).