4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide

C22H21F4N3O3 — CID 38905539

IUPAC4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)CCCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C22H21F4N3O3/c1-2-12-31-18-11-8-15(22(24,25)26)13-17(18)27-19(30)4-3-5-20-28-21(29-32-20)14-6-9-16(23)10-7-14/h6-11,13H,2-5,12H2,1H3,(H,27,30)
InChIKeyUUKKOWUYVWVKHJ-UHFFFAOYSA-N
MW451.42 g/mol
LogP5.64
Rot. Bonds9

About 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide

4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide (PubChem CID 38905539) has the molecular formula C22H21F4N3O3 and a molecular weight of 451.42 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
PubChem CID38905539
Molecular FormulaC22H21F4N3O3
Molecular Weight451.42 g/mol
Exact Mass451.15
IUPAC Name4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)CCCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C22H21F4N3O3/c1-2-12-31-18-11-8-15(22(24,25)26)13-17(18)27-19(30)4-3-5-20-28-21(29-32-20)14-6-9-16(23)10-7-14/h6-11,13H,2-5,12H2,1H3,(H,27,30)
InChIKeyUUKKOWUYVWVKHJ-UHFFFAOYSA-N
XLogP5.64
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.42
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide with MolForge

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 55906165
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2985723
4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
CID 24949375
4-[3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)butanamide
CID 2985774
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylbutanamide
CID 38886258
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-iodo-2-methylphenyl)butanamide
CID 55684471
N-(5-acetamido-2-methylphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 46454649
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pentylbutanamide
CID 38885235
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16599589
N-(3,4-dipropoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18205510
2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 4656638
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]propanamide
CID 55748131

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide (CID 38905539) is 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide is CCCOc1ccc(C(F)(F)F)cc1NC(=O)CCCc1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide?
The InChIKey is UUKKOWUYVWVKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F4N3O3/c1-2-12-31-18-11-8-15(22(24,25)26)13-17(18)27-19(30)4-3-5-20-28-21(29-32-20)14-6-9-16(23)10-7-14/h6-11,13H,2-5,12H2,1H3,(H,27,30).
What are the key properties of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide?
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide has a molecular weight of 451.42 g/mol, XLogP of 5.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 38905539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).