N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide

C16H14N4O2S — CID 51090247

IUPACN-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide
SMILESCc1ccc(-c2nnco2)cc1NC(=O)CSc1ccncc1
InChIInChI=1S/C16H14N4O2S/c1-11-2-3-12(16-20-18-10-22-16)8-14(11)19-15(21)9-23-13-4-6-17-7-5-13/h2-8,10H,9H2,1H3,(H,19,21)
InChIKeyUORAJXMNOHGDRJ-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.17
Rot. Bonds5

About N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide

N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide (PubChem CID 51090247) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide
PubChem CID51090247
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC NameN-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide
SMILESCc1ccc(-c2nnco2)cc1NC(=O)CSc1ccncc1
InChIInChI=1S/C16H14N4O2S/c1-11-2-3-12(16-20-18-10-22-16)8-14(11)19-15(21)9-23-13-4-6-17-7-5-13/h2-8,10H,9H2,1H3,(H,19,21)
InChIKeyUORAJXMNOHGDRJ-UHFFFAOYSA-N
XLogP3.17
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 62230630
2-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 43706139
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 55731593
4-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 60842599
5-amino-4-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pentanamide
CID 82013593
2,2,2-trifluoro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 63374700
3-chloro-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 63679608
N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide
CID 55731779
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 111435014
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 87045574
2-bromo-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 63681213
N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-4-oxobutyl]thiophene-2-carboxamide
CID 55731494

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide (CID 51090247) is N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide is Cc1ccc(-c2nnco2)cc1NC(=O)CSc1ccncc1.
What is the InChIKey of N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is UORAJXMNOHGDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-11-2-3-12(16-20-18-10-22-16)8-14(11)19-15(21)9-23-13-4-6-17-7-5-13/h2-8,10H,9H2,1H3,(H,19,21).
What are the key properties of N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide?
N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 326.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 51090247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).