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

C19H19N3O2 — CID 100711700

IUPAC2,4,5-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCc1cc(C)c(C(=O)NCc2nc(-c3ccccc3)no2)cc1C
InChIInChI=1S/C19H19N3O2/c1-12-9-14(3)16(10-13(12)2)19(23)20-11-17-21-18(22-24-17)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyCBXPTAQGQXKUIC-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.59
Rot. Bonds4

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

2,4,5-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (PubChem CID 100711700) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
PubChem CID100711700
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2,4,5-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCc1cc(C)c(C(=O)NCc2nc(-c3ccccc3)no2)cc1C
InChIInChI=1S/C19H19N3O2/c1-12-9-14(3)16(10-13(12)2)19(23)20-11-17-21-18(22-24-17)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyCBXPTAQGQXKUIC-UHFFFAOYSA-N
XLogP3.59
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfanyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 6463503
2-(2,5-dimethylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 50875120
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-ylsulfanylbenzamide
CID 50874997
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 2231244
N-[(2-methylphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25238417
6-chloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinoline-4-carboxamide
CID 16673322
2-chloro-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 4897476
[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl] acetate
CID 8894982
2-chloro-4-nitro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 8836733
2-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 83624712
2-(3,4-dimethylphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 50875098
N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100717253

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The IUPAC name of 2,4,5-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (CID 100711700) is 2,4,5-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2,4,5-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The canonical SMILES for 2,4,5-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is Cc1cc(C)c(C(=O)NCc2nc(-c3ccccc3)no2)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The InChIKey is CBXPTAQGQXKUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-9-14(3)16(10-13(12)2)19(23)20-11-17-21-18(22-24-17)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of 2,4,5-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
2,4,5-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide has a molecular weight of 321.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 100711700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).