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

C18H17N3O2 — CID 3348278

IUPACN-ethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESCCNC(=O)c1ccccc1-c1nc(-c2ccccc2C)no1
InChIInChI=1S/C18H17N3O2/c1-3-19-17(22)14-10-6-7-11-15(14)18-20-16(21-23-18)13-9-5-4-8-12(13)2/h4-11H,3H2,1-2H3,(H,19,22)
InChIKeyRDOPZOCSAVGBIL-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.46
Rot. Bonds4

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

N-ethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide (PubChem CID 3348278) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-ethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
PubChem CID3348278
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-ethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESCCNC(=O)c1ccccc1-c1nc(-c2ccccc2C)no1
InChIInChI=1S/C18H17N3O2/c1-3-19-17(22)14-10-6-7-11-15(14)18-20-16(21-23-18)13-9-5-4-8-12(13)2/h4-11H,3H2,1-2H3,(H,19,22)
InChIKeyRDOPZOCSAVGBIL-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 2480918
N,N-dimethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 3800118
2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzamide
CID 3159477
N-[2-(ethylamino)ethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 119507620
[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 3445328
N-ethyl-2-methyl-3-(2-methylphenyl)benzamide
CID 162214048
N-[2-(methylamino)propyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 120827644
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2023347
2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
CID 23008204
N-(3-aminobutyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 119497807
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide
CID 665429
3-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 6459787

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The IUPAC name of N-ethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide (CID 3348278) is N-ethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide.
What is the SMILES notation for N-ethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The canonical SMILES for N-ethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide is CCNC(=O)c1ccccc1-c1nc(-c2ccccc2C)no1.
What is the InChIKey of N-ethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The InChIKey is RDOPZOCSAVGBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-3-19-17(22)14-10-6-7-11-15(14)18-20-16(21-23-18)13-9-5-4-8-12(13)2/h4-11H,3H2,1-2H3,(H,19,22).
What are the key properties of N-ethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
N-ethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide has a molecular weight of 307.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide is sourced from PubChem (CID 3348278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).