4-methyl-2-oxo-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carbonitrile

C14H10N4O2S — CID 75505849

IUPAC4-methyl-2-oxo-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carbonitrile
SMILESCc1ccn(Cc2nnc(-c3cccs3)o2)c(=O)c1C#N
InChIInChI=1S/C14H10N4O2S/c1-9-4-5-18(14(19)10(9)7-15)8-12-16-17-13(20-12)11-3-2-6-21-11/h2-6H,8H2,1H3
InChIKeyISRDSGZIQWAJLI-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.19
Rot. Bonds3

About 4-methyl-2-oxo-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carbonitrile

4-methyl-2-oxo-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carbonitrile (PubChem CID 75505849) has the molecular formula C14H10N4O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 4-methyl-2-oxo-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-oxo-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carbonitrile
PubChem CID75505849
Molecular FormulaC14H10N4O2S
Molecular Weight298.33 g/mol
Exact Mass298.05
IUPAC Name4-methyl-2-oxo-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carbonitrile
SMILESCc1ccn(Cc2nnc(-c3cccs3)o2)c(=O)c1C#N
InChIInChI=1S/C14H10N4O2S/c1-9-4-5-18(14(19)10(9)7-15)8-12-16-17-13(20-12)11-3-2-6-21-11/h2-6H,8H2,1H3
InChIKeyISRDSGZIQWAJLI-UHFFFAOYSA-N
XLogP2.19
TPSA84.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 39967056
2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 4881194
2,6-dimethyl-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-3-carbonitrile
CID 75431420
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanol
CID 43558918
2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 53017470
4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
CID 82111413
(3R)-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol
CID 78993305
ethane;2-methyl-5-thiophen-2-yl-1,3,4-oxadiazole
CID 143800921
4-methyl-1-(methylsulfanylmethyl)-2-oxopyridine-3-carbonitrile
CID 126997451
2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 78787636
1-[[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 86795350
2-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 134031861

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carbonitrile?
The IUPAC name of 4-methyl-2-oxo-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carbonitrile (CID 75505849) is 4-methyl-2-oxo-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-2-oxo-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-2-oxo-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carbonitrile is Cc1ccn(Cc2nnc(-c3cccs3)o2)c(=O)c1C#N.
What is the InChIKey of 4-methyl-2-oxo-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carbonitrile?
The InChIKey is ISRDSGZIQWAJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2S/c1-9-4-5-18(14(19)10(9)7-15)8-12-16-17-13(20-12)11-3-2-6-21-11/h2-6H,8H2,1H3.
What are the key properties of 4-methyl-2-oxo-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carbonitrile?
4-methyl-2-oxo-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carbonitrile has a molecular weight of 298.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 75505849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).