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

C18H16FN3O2 — CID 110323402

IUPACN-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCc2nc(-c3ccccc3F)no2)cc1
InChIInChI=1S/C18H16FN3O2/c1-12-6-8-13(9-7-12)18(23)20-11-10-16-21-17(22-24-16)14-4-2-3-5-15(14)19/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyPNAPRPAAOHKMKR-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.16
Rot. Bonds5

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

N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzamide (PubChem CID 110323402) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzamide
PubChem CID110323402
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCc2nc(-c3ccccc3F)no2)cc1
InChIInChI=1S/C18H16FN3O2/c1-12-6-8-13(9-7-12)18(23)20-11-10-16-21-17(22-24-16)14-4-2-3-5-15(14)19/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyPNAPRPAAOHKMKR-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-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 110323445
3-(2-fluorophenyl)-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084261
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
4-methyl-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323732
4-tert-butyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 46300146
4-methyl-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 51064599
2,4-dichloro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323451
3-fluoro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323620
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-difluorobenzamide
CID 110323952
benzyl N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 110323449
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzamide
CID 110323931

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzamide (CID 110323402) is N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCc2nc(-c3ccccc3F)no2)cc1.
What is the InChIKey of N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzamide?
The InChIKey is PNAPRPAAOHKMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-12-6-8-13(9-7-12)18(23)20-11-10-16-21-17(22-24-16)14-4-2-3-5-15(14)19/h2-9H,10-11H2,1H3,(H,20,23).
What are the key properties of N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzamide?
N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzamide 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 N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzamide is sourced from PubChem (CID 110323402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).