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

C20H20FN3O2 — CID 83281960

IUPAC3-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-N-propylbenzamide
SMILESCCCN(CCc1nc(-c2ccccc2)no1)C(=O)c1cccc(F)c1
InChIInChI=1S/C20H20FN3O2/c1-2-12-24(20(25)16-9-6-10-17(21)14-16)13-11-18-22-19(23-26-18)15-7-4-3-5-8-15/h3-10,14H,2,11-13H2,1H3
InChIKeyHKIKYXUVXFCAIC-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.97
Rot. Bonds7

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

3-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-N-propylbenzamide (PubChem CID 83281960) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 3-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-N-propylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-N-propylbenzamide
PubChem CID83281960
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name3-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-N-propylbenzamide
SMILESCCCN(CCc1nc(-c2ccccc2)no1)C(=O)c1cccc(F)c1
InChIInChI=1S/C20H20FN3O2/c1-2-12-24(20(25)16-9-6-10-17(21)14-16)13-11-18-22-19(23-26-18)15-7-4-3-5-8-15/h3-10,14H,2,11-13H2,1H3
InChIKeyHKIKYXUVXFCAIC-UHFFFAOYSA-N
XLogP3.97
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-phenylethyl)benzamide
CID 83285272
N-benzyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide
CID 83283231
N-benzyl-N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide
CID 83290296
N-benzyl-3-fluoro-N-propylbenzamide
CID 134028425
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 63345430
N-(2-chloroethyl)-3-fluoro-N-propylbenzamide
CID 63392950
N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-nitro-N-(2-phenylethyl)benzamide
CID 83286824
3-fluoro-N,N-di(nonyl)benzamide
CID 533098
3-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N,N-dipropylbenzamide;hydrochloride
CID 120892680
4-methyl-N-(2-methylpropyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 42808968
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-fluoro-N-methylbenzamide
CID 8835748
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 110323289

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-N-propylbenzamide?
The IUPAC name of 3-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-N-propylbenzamide (CID 83281960) is 3-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-N-propylbenzamide.
What is the SMILES notation for 3-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-N-propylbenzamide?
The canonical SMILES for 3-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-N-propylbenzamide is CCCN(CCc1nc(-c2ccccc2)no1)C(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-N-propylbenzamide?
The InChIKey is HKIKYXUVXFCAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-2-12-24(20(25)16-9-6-10-17(21)14-16)13-11-18-22-19(23-26-18)15-7-4-3-5-8-15/h3-10,14H,2,11-13H2,1H3.
What are the key properties of 3-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-N-propylbenzamide?
3-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-N-propylbenzamide has a molecular weight of 353.40 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-N-propylbenzamide is sourced from PubChem (CID 83281960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).