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

C15H17BrFN3O2 — CID 55829100

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCc1noc(CCCC(=O)NCc2cc(Br)ccc2F)n1
InChIInChI=1S/C15H17BrFN3O2/c1-2-13-19-15(22-20-13)5-3-4-14(21)18-9-10-8-11(16)6-7-12(10)17/h6-8H,2-5,9H2,1H3,(H,18,21)
InChIKeyHUCSZVQUKPWHTE-UHFFFAOYSA-N
MW370.22 g/mol
LogP3.17
Rot. Bonds7

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

N-[(5-bromo-2-fluorophenyl)methyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 55829100) has the molecular formula C15H17BrFN3O2 and a molecular weight of 370.22 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID55829100
Molecular FormulaC15H17BrFN3O2
Molecular Weight370.22 g/mol
Exact Mass369.05
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCc1noc(CCCC(=O)NCc2cc(Br)ccc2F)n1
InChIInChI=1S/C15H17BrFN3O2/c1-2-13-19-15(22-20-13)5-3-4-14(21)18-9-10-8-11(16)6-7-12(10)17/h6-8H,2-5,9H2,1H3,(H,18,21)
InChIKeyHUCSZVQUKPWHTE-UHFFFAOYSA-N
XLogP3.17
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.22
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide (CID 55829100) is N-[(5-bromo-2-fluorophenyl)methyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide is CCc1noc(CCCC(=O)NCc2cc(Br)ccc2F)n1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is HUCSZVQUKPWHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3O2/c1-2-13-19-15(22-20-13)5-3-4-14(21)18-9-10-8-11(16)6-7-12(10)17/h6-8H,2-5,9H2,1H3,(H,18,21).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide?
N-[(5-bromo-2-fluorophenyl)methyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 370.22 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 55829100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).