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

C18H17N3O2 — CID 6459787

IUPAC3-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCc1cccc(C(=O)NCc2nc(-c3ccccc3C)no2)c1
InChIInChI=1S/C18H17N3O2/c1-12-6-5-8-14(10-12)18(22)19-11-16-20-17(21-23-16)15-9-4-3-7-13(15)2/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyABXJGLHXVHSASD-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.28
Rot. Bonds4

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

3-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (PubChem CID 6459787) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
PubChem CID6459787
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name3-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCc1cccc(C(=O)NCc2nc(-c3ccccc3C)no2)c1
InChIInChI=1S/C18H17N3O2/c1-12-6-5-8-14(10-12)18(22)19-11-16-20-17(21-23-16)15-9-4-3-7-13(15)2/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyABXJGLHXVHSASD-UHFFFAOYSA-N
XLogP3.28
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The IUPAC name of 3-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (CID 6459787) is 3-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.
What is the SMILES notation for 3-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The canonical SMILES for 3-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is Cc1cccc(C(=O)NCc2nc(-c3ccccc3C)no2)c1.
What is the InChIKey of 3-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The InChIKey is ABXJGLHXVHSASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-6-5-8-14(10-12)18(22)19-11-16-20-17(21-23-16)15-9-4-3-7-13(15)2/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of 3-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
3-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide has a molecular weight of 307.35 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 6459787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).