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

C18H16FN3O2 — CID 110323620

IUPAC3-fluoro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCc1ccccc1-c1noc(CCNC(=O)c2cccc(F)c2)n1
InChIInChI=1S/C18H16FN3O2/c1-12-5-2-3-8-15(12)17-21-16(24-22-17)9-10-20-18(23)13-6-4-7-14(19)11-13/h2-8,11H,9-10H2,1H3,(H,20,23)
InChIKeyPQBDOKXHTZQUEJ-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.16
Rot. Bonds5

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

3-fluoro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (PubChem CID 110323620) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 3-fluoro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
PubChem CID110323620
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name3-fluoro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCc1ccccc1-c1noc(CCNC(=O)c2cccc(F)c2)n1
InChIInChI=1S/C18H16FN3O2/c1-12-5-2-3-8-15(12)17-21-16(24-22-17)9-10-20-18(23)13-6-4-7-14(19)11-13/h2-8,11H,9-10H2,1H3,(H,20,23)
InChIKeyPQBDOKXHTZQUEJ-UHFFFAOYSA-N
XLogP3.16
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylacetamide
CID 110323634
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzamide
CID 110323931
3-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 6459787
N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzamide
CID 110323402
2-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323403
4-fluoro-N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 4976328
3-fluoro-N-[2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83290151
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-difluorobenzamide
CID 110323952
1-(3-chlorophenyl)-3-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
CID 110323648
2-(1,3-dioxoisoindol-2-yl)-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 110323644
3-fluoro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108737461
N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110632426

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (CID 110323620) is 3-fluoro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is Cc1ccccc1-c1noc(CCNC(=O)c2cccc(F)c2)n1.
What is the InChIKey of 3-fluoro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The InChIKey is PQBDOKXHTZQUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-12-5-2-3-8-15(12)17-21-16(24-22-17)9-10-20-18(23)13-6-4-7-14(19)11-13/h2-8,11H,9-10H2,1H3,(H,20,23).
What are the key properties of 3-fluoro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
3-fluoro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide has a molecular weight of 325.34 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 110323620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).