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

C18H17N3O2 — CID 46266995

IUPACN-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide
SMILESCCc1noc(-c2cccc(NC(=O)c3ccccc3C)c2)n1
InChIInChI=1S/C18H17N3O2/c1-3-16-20-18(23-21-16)13-8-6-9-14(11-13)19-17(22)15-10-5-4-7-12(15)2/h4-11H,3H2,1-2H3,(H,19,22)
InChIKeyOQBZPLCOAZXWJT-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.86
Rot. Bonds4

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

N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide (PubChem CID 46266995) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide
PubChem CID46266995
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide
SMILESCCc1noc(-c2cccc(NC(=O)c3ccccc3C)c2)n1
InChIInChI=1S/C18H17N3O2/c1-3-16-20-18(23-21-16)13-8-6-9-14(11-13)19-17(22)15-10-5-4-7-12(15)2/h4-11H,3H2,1-2H3,(H,19,22)
InChIKeyOQBZPLCOAZXWJT-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-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide
CID 50747779
N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 46267007
N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]thiophene-2-carboxamide
CID 46267006
N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-fluorobenzamide
CID 50747838
2-methyl-N-[3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 2993930
2-ethoxy-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 50747846
2-methyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 50747772
2-ethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 46266949
2-[[3-(3-ethyl-1,2,4-oxadiazol-5-yl)anilino]methylidene]propanedinitrile
CID 168542942
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-4-carboxamide
CID 110643697
N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 72872766

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide?
The IUPAC name of N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide (CID 46266995) is N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide?
The canonical SMILES for N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide is CCc1noc(-c2cccc(NC(=O)c3ccccc3C)c2)n1.
What is the InChIKey of N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide?
The InChIKey is OQBZPLCOAZXWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-3-16-20-18(23-21-16)13-8-6-9-14(11-13)19-17(22)15-10-5-4-7-12(15)2/h4-11H,3H2,1-2H3,(H,19,22).
What are the key properties of N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide?
N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide 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-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 46266995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).