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

C16H19BrFN3O2 — CID 55907269

IUPACN-[(3-bromo-5-fluorophenyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)c1noc(CCCC(=O)NCc2cc(F)cc(Br)c2)n1
InChIInChI=1S/C16H19BrFN3O2/c1-10(2)16-20-15(23-21-16)5-3-4-14(22)19-9-11-6-12(17)8-13(18)7-11/h6-8,10H,3-5,9H2,1-2H3,(H,19,22)
InChIKeyHCGSZYCKICKRCT-UHFFFAOYSA-N
MW384.25 g/mol
LogP3.73
Rot. Bonds7

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

N-[(3-bromo-5-fluorophenyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 55907269) has the molecular formula C16H19BrFN3O2 and a molecular weight of 384.25 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID55907269
Molecular FormulaC16H19BrFN3O2
Molecular Weight384.25 g/mol
Exact Mass383.06
IUPAC NameN-[(3-bromo-5-fluorophenyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)c1noc(CCCC(=O)NCc2cc(F)cc(Br)c2)n1
InChIInChI=1S/C16H19BrFN3O2/c1-10(2)16-20-15(23-21-16)5-3-4-14(22)19-9-11-6-12(17)8-13(18)7-11/h6-8,10H,3-5,9H2,1-2H3,(H,19,22)
InChIKeyHCGSZYCKICKRCT-UHFFFAOYSA-N
XLogP3.73
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.25
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide (CID 55907269) is N-[(3-bromo-5-fluorophenyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide is CC(C)c1noc(CCCC(=O)NCc2cc(F)cc(Br)c2)n1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is HCGSZYCKICKRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFN3O2/c1-10(2)16-20-15(23-21-16)5-3-4-14(22)19-9-11-6-12(17)8-13(18)7-11/h6-8,10H,3-5,9H2,1-2H3,(H,19,22).
What are the key properties of N-[(3-bromo-5-fluorophenyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
N-[(3-bromo-5-fluorophenyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 384.25 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 55907269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).