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

C19H17BrFN3O2 — CID 55690341

IUPACN-[(3-bromophenyl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESO=C(CCCc1nc(-c2ccc(F)cc2)no1)NCc1cccc(Br)c1
InChIInChI=1S/C19H17BrFN3O2/c20-15-4-1-3-13(11-15)12-22-17(25)5-2-6-18-23-19(24-26-18)14-7-9-16(21)10-8-14/h1,3-4,7-11H,2,5-6,12H2,(H,22,25)
InChIKeyUOWXGSVPFITFCE-UHFFFAOYSA-N
MW418.27 g/mol
LogP4.28
Rot. Bonds7

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

N-[(3-bromophenyl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide (PubChem CID 55690341) has the molecular formula C19H17BrFN3O2 and a molecular weight of 418.27 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
PubChem CID55690341
Molecular FormulaC19H17BrFN3O2
Molecular Weight418.27 g/mol
Exact Mass417.05
IUPAC NameN-[(3-bromophenyl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESO=C(CCCc1nc(-c2ccc(F)cc2)no1)NCc1cccc(Br)c1
InChIInChI=1S/C19H17BrFN3O2/c20-15-4-1-3-13(11-15)12-22-17(25)5-2-6-18-23-19(24-26-18)14-7-9-16(21)10-8-14/h1,3-4,7-11H,2,5-6,12H2,(H,22,25)
InChIKeyUOWXGSVPFITFCE-UHFFFAOYSA-N
XLogP4.28
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.27
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide (CID 55690341) is N-[(3-bromophenyl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide is O=C(CCCc1nc(-c2ccc(F)cc2)no1)NCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The InChIKey is UOWXGSVPFITFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrFN3O2/c20-15-4-1-3-13(11-15)12-22-17(25)5-2-6-18-23-19(24-26-18)14-7-9-16(21)10-8-14/h1,3-4,7-11H,2,5-6,12H2,(H,22,25).
What are the key properties of N-[(3-bromophenyl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
N-[(3-bromophenyl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide has a molecular weight of 418.27 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide is sourced from PubChem (CID 55690341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).