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

C21H22FN3O3 — CID 50765719

IUPACN-[2-[5-[(4-ethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-fluoro-N-methylbenzamide
SMILESCCc1ccc(OCc2nc(CCN(C)C(=O)c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C21H22FN3O3/c1-3-15-4-10-18(11-5-15)27-14-20-23-19(24-28-20)12-13-25(2)21(26)16-6-8-17(22)9-7-16/h4-11H,3,12-14H2,1-2H3
InChIKeyGYPFMAHJTLFBEE-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.66
Rot. Bonds8

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

N-[2-[5-[(4-ethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-fluoro-N-methylbenzamide (PubChem CID 50765719) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is N-[2-[5-[(4-ethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-[5-[(4-ethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-fluoro-N-methylbenzamide
PubChem CID50765719
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC NameN-[2-[5-[(4-ethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-fluoro-N-methylbenzamide
SMILESCCc1ccc(OCc2nc(CCN(C)C(=O)c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C21H22FN3O3/c1-3-15-4-10-18(11-5-15)27-14-20-23-19(24-28-20)12-13-25(2)21(26)16-6-8-17(22)9-7-16/h4-11H,3,12-14H2,1-2H3
InChIKeyGYPFMAHJTLFBEE-UHFFFAOYSA-N
XLogP3.66
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzamide
CID 50765729
4-fluoro-N-[2-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzamide
CID 50765653
N-[2-[5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N,4-dimethylbenzamide
CID 53055730
methyl 4-[[2-[5-[(4-ethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl-methylcarbamoyl]amino]benzoate
CID 53004665
3,5-dimethoxy-N-[2-[5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzamide
CID 50765669
2,6-difluoro-N-[2-[5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzamide
CID 50765620
3-fluoro-N-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 50765623
3-(3,4-dimethoxyphenyl)-1-[2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-1-methylurea
CID 53055493
1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone
CID 28782310
N-methyl-N-[2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenylacetamide
CID 50765647
2,6-difluoro-N-[2-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzamide
CID 50765645
4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 78770402

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(4-ethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-fluoro-N-methylbenzamide?
The IUPAC name of N-[2-[5-[(4-ethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-fluoro-N-methylbenzamide (CID 50765719) is N-[2-[5-[(4-ethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[2-[5-[(4-ethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-fluoro-N-methylbenzamide?
The canonical SMILES for N-[2-[5-[(4-ethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-fluoro-N-methylbenzamide is CCc1ccc(OCc2nc(CCN(C)C(=O)c3ccc(F)cc3)no2)cc1.
What is the InChIKey of N-[2-[5-[(4-ethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-fluoro-N-methylbenzamide?
The InChIKey is GYPFMAHJTLFBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-3-15-4-10-18(11-5-15)27-14-20-23-19(24-28-20)12-13-25(2)21(26)16-6-8-17(22)9-7-16/h4-11H,3,12-14H2,1-2H3.
What are the key properties of N-[2-[5-[(4-ethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-fluoro-N-methylbenzamide?
N-[2-[5-[(4-ethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-fluoro-N-methylbenzamide has a molecular weight of 383.42 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(4-ethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 50765719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).