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

C21H22FN3O2 — CID 72850665

IUPACN-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-fluorophenyl)-3-phenylpropanamide
SMILESCCc1nc(CCNC(=O)CC(c2ccccc2)c2ccccc2F)no1
InChIInChI=1S/C21H22FN3O2/c1-2-21-24-19(25-27-21)12-13-23-20(26)14-17(15-8-4-3-5-9-15)16-10-6-7-11-18(16)22/h3-11,17H,2,12-14H2,1H3,(H,23,26)
InChIKeyRIALEUKBBQMHBV-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.65
Rot. Bonds8

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

N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-fluorophenyl)-3-phenylpropanamide (PubChem CID 72850665) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-fluorophenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-fluorophenyl)-3-phenylpropanamide
PubChem CID72850665
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC NameN-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-fluorophenyl)-3-phenylpropanamide
SMILESCCc1nc(CCNC(=O)CC(c2ccccc2)c2ccccc2F)no1
InChIInChI=1S/C21H22FN3O2/c1-2-21-24-19(25-27-21)12-13-23-20(26)14-17(15-8-4-3-5-9-15)16-10-6-7-11-18(16)22/h3-11,17H,2,12-14H2,1H3,(H,23,26)
InChIKeyRIALEUKBBQMHBV-UHFFFAOYSA-N
XLogP3.65
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-fluorophenyl)-3-phenylpropanamide
CID 97270529
3-(2-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylpropanamide
CID 72925472
(3R)-3-(2-fluorophenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-phenylpropanamide
CID 136831938
(3R)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide
CID 26411426
(3R)-N-[(1-ethylimidazol-2-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide
CID 42596150
3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 45228340
2-fluoro-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 91917633
3,3-diphenyl-N-propylpropanamide
CID 4638647
2-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 143940575
4-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-phenylpentanoic acid
CID 122001050
N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 70770521
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)-3-phenylpropanamide
CID 72896575

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-fluorophenyl)-3-phenylpropanamide?
The IUPAC name of N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-fluorophenyl)-3-phenylpropanamide (CID 72850665) is N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-fluorophenyl)-3-phenylpropanamide.
What is the SMILES notation for N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-fluorophenyl)-3-phenylpropanamide?
The canonical SMILES for N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-fluorophenyl)-3-phenylpropanamide is CCc1nc(CCNC(=O)CC(c2ccccc2)c2ccccc2F)no1.
What is the InChIKey of N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-fluorophenyl)-3-phenylpropanamide?
The InChIKey is RIALEUKBBQMHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-2-21-24-19(25-27-21)12-13-23-20(26)14-17(15-8-4-3-5-9-15)16-10-6-7-11-18(16)22/h3-11,17H,2,12-14H2,1H3,(H,23,26).
What are the key properties of N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-fluorophenyl)-3-phenylpropanamide?
N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-fluorophenyl)-3-phenylpropanamide has a molecular weight of 367.42 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-fluorophenyl)-3-phenylpropanamide is sourced from PubChem (CID 72850665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).