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

C18H17N3O2 — CID 17101235

IUPAC3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESCc1cccc(C(=O)NC(C)c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C18H17N3O2/c1-12-7-6-10-15(11-12)17(22)19-13(2)18-20-16(21-23-18)14-8-4-3-5-9-14/h3-11,13H,1-2H3,(H,19,22)
InChIKeyIZFBTAGYORCANA-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.54
Rot. Bonds4

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

3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide (PubChem CID 17101235) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
PubChem CID17101235
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESCc1cccc(C(=O)NC(C)c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C18H17N3O2/c1-12-7-6-10-15(11-12)17(22)19-13(2)18-20-16(21-23-18)14-8-4-3-5-9-14/h3-11,13H,1-2H3,(H,19,22)
InChIKeyIZFBTAGYORCANA-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzamide
CID 17101552
N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-nitrobenzamide
CID 83286859
3-methyl-N-[1-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 166382841
2-fluoro-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101311
2,2-dimethyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide
CID 7449663
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101424
3-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
CID 83286620
N-[2-methyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 83288740
2,2-dimethyl-N-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 7449710
3-[[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]pyrazine-2-carboxylic acid
CID 95858995
4-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propan-2-ylpyrazole-5-carboxamide
CID 167186132
N-[(1S)-1-[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 92728786

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The IUPAC name of 3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide (CID 17101235) is 3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide is Cc1cccc(C(=O)NC(C)c2nc(-c3ccccc3)no2)c1.
What is the InChIKey of 3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The InChIKey is IZFBTAGYORCANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-7-6-10-15(11-12)17(22)19-13(2)18-20-16(21-23-18)14-8-4-3-5-9-14/h3-11,13H,1-2H3,(H,19,22).
What are the key properties of 3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide has a molecular weight of 307.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 17101235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).