N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenoxybutanamide

C19H18FN3O3 — CID 110293525

IUPACN-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C19H18FN3O3/c20-15-10-8-14(9-11-15)19-22-18(26-23-19)13-21-17(24)7-4-12-25-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-13H2,(H,21,24)
InChIKeyQFVPYJUFRDFVNV-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.35
Rot. Bonds8

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

N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenoxybutanamide (PubChem CID 110293525) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenoxybutanamide
PubChem CID110293525
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC NameN-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C19H18FN3O3/c20-15-10-8-14(9-11-15)19-22-18(26-23-19)13-21-17(24)7-4-12-25-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-13H2,(H,21,24)
InChIKeyQFVPYJUFRDFVNV-UHFFFAOYSA-N
XLogP3.35
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenoxypropanamide
CID 110323125
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenoxybutanamide
CID 50874670
4-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 110632193
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-3-phenoxypropyl)propanamide
CID 42959726
4-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxobutanamide
CID 110632195
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenoxypropanamide
CID 110293601
3-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 110293659
3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 71668568
N-[[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53103239
N-[2-(4-fluorophenoxy)ethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46469483
N-[2-(4-fluorophenoxy)ethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 37360908
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenoxybutanamide
CID 91794306

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenoxybutanamide?
The IUPAC name of N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenoxybutanamide (CID 110293525) is N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenoxybutanamide?
The canonical SMILES for N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenoxybutanamide is O=C(CCCOc1ccccc1)NCc1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenoxybutanamide?
The InChIKey is QFVPYJUFRDFVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c20-15-10-8-14(9-11-15)19-22-18(26-23-19)13-21-17(24)7-4-12-25-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-13H2,(H,21,24).
What are the key properties of N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenoxybutanamide?
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenoxybutanamide has a molecular weight of 355.37 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenoxybutanamide is sourced from PubChem (CID 110293525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).