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

C19H19N3O3S — CID 91796278

IUPAC3-(3-methoxyphenyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCOc1cccc(-c2cccc(C(=O)NCc3nc(CSC)no3)c2)c1
InChIInChI=1S/C19H19N3O3S/c1-24-16-8-4-6-14(10-16)13-5-3-7-15(9-13)19(23)20-11-18-21-17(12-26-2)22-25-18/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyAPFODXOMGLPITG-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.54
Rot. Bonds7

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

3-(3-methoxyphenyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (PubChem CID 91796278) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
PubChem CID91796278
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name3-(3-methoxyphenyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCOc1cccc(-c2cccc(C(=O)NCc3nc(CSC)no3)c2)c1
InChIInChI=1S/C19H19N3O3S/c1-24-16-8-4-6-14(10-16)13-5-3-7-15(9-13)19(23)20-11-18-21-17(12-26-2)22-25-18/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyAPFODXOMGLPITG-UHFFFAOYSA-N
XLogP3.54
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(methylsulfamoyl)benzamide
CID 100623554
3-methoxy-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 53049063
4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866986
1-(3-methoxyphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 100746710
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-nitrobenzamide
CID 99994996
N-[(4-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973291
3-methoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 110293645
3-chloro-N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 99994482
2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
CID 112682859
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 99999133
N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 70704975
3-methoxy-N-[2-[[4-(3-methoxyphenyl)benzoyl]amino]ethyl]benzamide
CID 134802561

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (CID 91796278) is 3-(3-methoxyphenyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is COc1cccc(-c2cccc(C(=O)NCc3nc(CSC)no3)c2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The InChIKey is APFODXOMGLPITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-24-16-8-4-6-14(10-16)13-5-3-7-15(9-13)19(23)20-11-18-21-17(12-26-2)22-25-18/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of 3-(3-methoxyphenyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
3-(3-methoxyphenyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide has a molecular weight of 369.45 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 91796278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).