N-(3-ethylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide

C18H17N3O2 — CID 46321576

IUPACN-(3-ethylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
SMILESCCc1cccc(NC(=O)c2cccc(-c3noc(C)n3)c2)c1
InChIInChI=1S/C18H17N3O2/c1-3-13-6-4-9-16(10-13)20-18(22)15-8-5-7-14(11-15)17-19-12(2)23-21-17/h4-11H,3H2,1-2H3,(H,20,22)
InChIKeyZOOXGTFEDLWWPS-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.86
Rot. Bonds4

About N-(3-ethylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide

N-(3-ethylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide (PubChem CID 46321576) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(3-ethylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
PubChem CID46321576
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(3-ethylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
SMILESCCc1cccc(NC(=O)c2cccc(-c3noc(C)n3)c2)c1
InChIInChI=1S/C18H17N3O2/c1-3-13-6-4-9-16(10-13)20-18(22)15-8-5-7-14(11-15)17-19-12(2)23-21-17/h4-11H,3H2,1-2H3,(H,20,22)
InChIKeyZOOXGTFEDLWWPS-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321558
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-propan-2-ylphenyl)benzamide
CID 50778928
ethyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate
CID 53429626
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321552
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
N-(3-chloro-2-methylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 50779128
1-N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 166328689
N-(3-ethylphenyl)-3-iodobenzamide
CID 2591482
N-[4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]phenyl]acetamide
CID 50777698
3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanol
CID 159455674
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-ethylphenyl)benzamide
CID 50779132
4-(imidazol-1-ylmethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 86846693

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
The IUPAC name of N-(3-ethylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide (CID 46321576) is N-(3-ethylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide.
What is the SMILES notation for N-(3-ethylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
The canonical SMILES for N-(3-ethylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide is CCc1cccc(NC(=O)c2cccc(-c3noc(C)n3)c2)c1.
What is the InChIKey of N-(3-ethylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
The InChIKey is ZOOXGTFEDLWWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-3-13-6-4-9-16(10-13)20-18(22)15-8-5-7-14(11-15)17-19-12(2)23-21-17/h4-11H,3H2,1-2H3,(H,20,22).
What are the key properties of N-(3-ethylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
N-(3-ethylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide has a molecular weight of 307.35 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide is sourced from PubChem (CID 46321576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).