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

C16H14N4O2S — CID 78839044

IUPAC4-methylsulfanyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCSc1ccc(C(=O)NCc2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C16H14N4O2S/c1-23-13-4-2-12(3-5-13)16(21)18-10-14-19-15(20-22-14)11-6-8-17-9-7-11/h2-9H,10H2,1H3,(H,18,21)
InChIKeyUSEZJZJLYXYSPS-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.78
Rot. Bonds5

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

4-methylsulfanyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide (PubChem CID 78839044) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-methylsulfanyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
PubChem CID78839044
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name4-methylsulfanyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCSc1ccc(C(=O)NCc2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C16H14N4O2S/c1-23-13-4-2-12(3-5-13)16(21)18-10-14-19-15(20-22-14)11-6-8-17-9-7-11/h2-9H,10H2,1H3,(H,18,21)
InChIKeyUSEZJZJLYXYSPS-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methylsulfanyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid
CID 69190964
6-(dimethylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide
CID 78861696
tert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 56770463
N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide
CID 119104925
N-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 106847348
3-(methoxymethyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 134042967
N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110784452
N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide
CID 91819231
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl] acetate
CID 8894701
cis-(1S,3R)-2,2-dimethyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 95859031
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitrobenzamide
CID 99994856
N-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid)
CID 75530724

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The IUPAC name of 4-methylsulfanyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide (CID 78839044) is 4-methylsulfanyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 4-methylsulfanyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The canonical SMILES for 4-methylsulfanyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide is CSc1ccc(C(=O)NCc2nc(-c3ccncc3)no2)cc1.
What is the InChIKey of 4-methylsulfanyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The InChIKey is USEZJZJLYXYSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-23-13-4-2-12(3-5-13)16(21)18-10-14-19-15(20-22-14)11-6-8-17-9-7-11/h2-9H,10H2,1H3,(H,18,21).
What are the key properties of 4-methylsulfanyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
4-methylsulfanyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide has a molecular weight of 326.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 78839044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).