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

C20H19N3O2S — CID 118787519

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1-c1cccc(C(=O)NCc2nc(C3CC3)no2)c1
InChIInChI=1S/C20H19N3O2S/c1-26-17-8-3-2-7-16(17)14-5-4-6-15(11-14)20(24)21-12-18-22-19(23-25-18)13-9-10-13/h2-8,11,13H,9-10,12H2,1H3,(H,21,24)
InChIKeySUGVLICRUDTYGV-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.27
Rot. Bonds6

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

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylsulfanylphenyl)benzamide (PubChem CID 118787519) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylsulfanylphenyl)benzamide
PubChem CID118787519
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1-c1cccc(C(=O)NCc2nc(C3CC3)no2)c1
InChIInChI=1S/C20H19N3O2S/c1-26-17-8-3-2-7-16(17)14-5-4-6-15(11-14)20(24)21-12-18-22-19(23-25-18)13-9-10-13/h2-8,11,13H,9-10,12H2,1H3,(H,21,24)
InChIKeySUGVLICRUDTYGV-UHFFFAOYSA-N
XLogP4.27
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylsulfanylphenyl)benzamide?
The IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylsulfanylphenyl)benzamide (CID 118787519) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylsulfanylphenyl)benzamide.
What is the SMILES notation for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylsulfanylphenyl)benzamide?
The canonical SMILES for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylsulfanylphenyl)benzamide is CSc1ccccc1-c1cccc(C(=O)NCc2nc(C3CC3)no2)c1.
What is the InChIKey of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylsulfanylphenyl)benzamide?
The InChIKey is SUGVLICRUDTYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-26-17-8-3-2-7-16(17)14-5-4-6-15(11-14)20(24)21-12-18-22-19(23-25-18)13-9-10-13/h2-8,11,13H,9-10,12H2,1H3,(H,21,24).
What are the key properties of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylsulfanylphenyl)benzamide?
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylsulfanylphenyl)benzamide has a molecular weight of 365.46 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 118787519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).