3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenylmethoxyphenyl)propanamide

C24H20FN3O3 — CID 9034807

IUPAC3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenylmethoxyphenyl)propanamide
SMILESO=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H20FN3O3/c25-19-8-6-18(7-9-19)24-27-23(31-28-24)15-14-22(29)26-20-10-12-21(13-11-20)30-16-17-4-2-1-3-5-17/h1-13H,14-16H2,(H,26,29)
InChIKeyGGWJDLXOIFSQPI-UHFFFAOYSA-N
MW417.44 g/mol
LogP5.03
Rot. Bonds8

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

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenylmethoxyphenyl)propanamide (PubChem CID 9034807) has the molecular formula C24H20FN3O3 and a molecular weight of 417.44 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenylmethoxyphenyl)propanamide
PubChem CID9034807
Molecular FormulaC24H20FN3O3
Molecular Weight417.44 g/mol
Exact Mass417.15
IUPAC Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenylmethoxyphenyl)propanamide
SMILESO=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H20FN3O3/c25-19-8-6-18(7-9-19)24-27-23(31-28-24)15-14-22(29)26-20-10-12-21(13-11-20)30-16-17-4-2-1-3-5-17/h1-13H,14-16H2,(H,26,29)
InChIKeyGGWJDLXOIFSQPI-UHFFFAOYSA-N
XLogP5.03
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.44
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762327
N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46594973
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-yloxyphenyl)propanamide
CID 110330770
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093
N-(4-ethoxyphenyl)-3-[3-(3-methoxy-4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17354704
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenoxyphenyl)propanamide
CID 100759603
N-(4-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762262
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 3826214
N-(4-chlorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762340
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 100763881
3-(4-fluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109037756
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenylpropanamide
CID 110323526

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenylmethoxyphenyl)propanamide (CID 9034807) is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenylmethoxyphenyl)propanamide is O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is GGWJDLXOIFSQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3/c25-19-8-6-18(7-9-19)24-27-23(31-28-24)15-14-22(29)26-20-10-12-21(13-11-20)30-16-17-4-2-1-3-5-17/h1-13H,14-16H2,(H,26,29).
What are the key properties of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenylmethoxyphenyl)propanamide?
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 417.44 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 9034807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).