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

C20H19FN4O3 — CID 46616250

IUPACN-ethyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)c1
InChIInChI=1S/C20H19FN4O3/c1-2-22-20(27)14-4-3-5-16(12-14)23-17(26)10-11-18-24-19(25-28-18)13-6-8-15(21)9-7-13/h3-9,12H,2,10-11H2,1H3,(H,22,27)(H,23,26)
InChIKeyHWMKACXFRJCJHN-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.20
Rot. Bonds7

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

N-ethyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide (PubChem CID 46616250) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is N-ethyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
PubChem CID46616250
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC NameN-ethyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)c1
InChIInChI=1S/C20H19FN4O3/c1-2-22-20(27)14-4-3-5-16(12-14)23-17(26)10-11-18-24-19(25-28-18)13-6-8-15(21)9-7-13/h3-9,12H,2,10-11H2,1H3,(H,22,27)(H,23,26)
InChIKeyHWMKACXFRJCJHN-UHFFFAOYSA-N
XLogP3.20
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(diethylaminomethyl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 38747951
3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylbenzamide
CID 55705925
N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46594973
N-(4-fluorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762327
N-(3-ethoxypropyl)-3-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
CID 55801586
N-(3-bromophenyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100754735
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 27256344
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9257330
N-(9H-fluoren-3-yl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9378406
methyl 2-[[3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoyl]amino]acetate
CID 55848093
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 3826214
N-(3,4-difluorophenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9080473

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide?
The IUPAC name of N-ethyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide (CID 46616250) is N-ethyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide.
What is the SMILES notation for N-ethyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide?
The canonical SMILES for N-ethyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide is CCNC(=O)c1cccc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)c1.
What is the InChIKey of N-ethyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide?
The InChIKey is HWMKACXFRJCJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-2-22-20(27)14-4-3-5-16(12-14)23-17(26)10-11-18-24-19(25-28-18)13-6-8-15(21)9-7-13/h3-9,12H,2,10-11H2,1H3,(H,22,27)(H,23,26).
What are the key properties of N-ethyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide?
N-ethyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide has a molecular weight of 382.40 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide is sourced from PubChem (CID 46616250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).