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

C20H20FN3O4 — CID 42959726

IUPAC3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-3-phenoxypropyl)propanamide
SMILESO=C(CCc1nc(-c2ccc(F)cc2)no1)NCC(O)COc1ccccc1
InChIInChI=1S/C20H20FN3O4/c21-15-8-6-14(7-9-15)20-23-19(28-24-20)11-10-18(26)22-12-16(25)13-27-17-4-2-1-3-5-17/h1-9,16,25H,10-13H2,(H,22,26)
InChIKeyAHJLTAJENCXHHN-UHFFFAOYSA-N
MW385.40 g/mol
LogP2.36
Rot. Bonds9

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

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-3-phenoxypropyl)propanamide (PubChem CID 42959726) has the molecular formula C20H20FN3O4 and a molecular weight of 385.40 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-3-phenoxypropyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-3-phenoxypropyl)propanamide
PubChem CID42959726
Molecular FormulaC20H20FN3O4
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-3-phenoxypropyl)propanamide
SMILESO=C(CCc1nc(-c2ccc(F)cc2)no1)NCC(O)COc1ccccc1
InChIInChI=1S/C20H20FN3O4/c21-15-8-6-14(7-9-15)20-23-19(28-24-20)11-10-18(26)22-12-16(25)13-27-17-4-2-1-3-5-17/h1-9,16,25H,10-13H2,(H,22,26)
InChIKeyAHJLTAJENCXHHN-UHFFFAOYSA-N
XLogP2.36
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenoxybutanamide
CID 110293525
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 43019750
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55407178
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenylpropanamide
CID 110323526
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenylmethoxyphenyl)propanamide
CID 9034807
N-[2-(4-fluorophenoxy)ethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 37360908
N-(4-fluorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762327
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-[(1R)-1-phenylethyl]propanamide
CID 27660244
N-[2-(4-fluorophenoxy)ethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46469483
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide
CID 111110980
N-[2-(4-fluorophenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 51310068

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-3-phenoxypropyl)propanamide?
The IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-3-phenoxypropyl)propanamide (CID 42959726) is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-3-phenoxypropyl)propanamide.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-3-phenoxypropyl)propanamide?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-3-phenoxypropyl)propanamide is O=C(CCc1nc(-c2ccc(F)cc2)no1)NCC(O)COc1ccccc1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-3-phenoxypropyl)propanamide?
The InChIKey is AHJLTAJENCXHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4/c21-15-8-6-14(7-9-15)20-23-19(28-24-20)11-10-18(26)22-12-16(25)13-27-17-4-2-1-3-5-17/h1-9,16,25H,10-13H2,(H,22,26).
What are the key properties of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-3-phenoxypropyl)propanamide?
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-3-phenoxypropyl)propanamide has a molecular weight of 385.40 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-3-phenoxypropyl)propanamide is sourced from PubChem (CID 42959726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).