N-(3-bromophenyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide

C16H20BrN3O2 — CID 39886363

IUPACN-(3-bromophenyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)(C)c1noc(CCCC(=O)Nc2cccc(Br)c2)n1
InChIInChI=1S/C16H20BrN3O2/c1-16(2,3)15-19-14(22-20-15)9-5-8-13(21)18-12-7-4-6-11(17)10-12/h4,6-7,10H,5,8-9H2,1-3H3,(H,18,21)
InChIKeyAMXFOECWPJIJJR-UHFFFAOYSA-N
MW366.26 g/mol
LogP4.09
Rot. Bonds5

About N-(3-bromophenyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide

N-(3-bromophenyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 39886363) has the molecular formula C16H20BrN3O2 and a molecular weight of 366.26 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID39886363
Molecular FormulaC16H20BrN3O2
Molecular Weight366.26 g/mol
Exact Mass365.07
IUPAC NameN-(3-bromophenyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)(C)c1noc(CCCC(=O)Nc2cccc(Br)c2)n1
InChIInChI=1S/C16H20BrN3O2/c1-16(2,3)15-19-14(22-20-15)9-5-8-13(21)18-12-7-4-6-11(17)10-12/h4,6-7,10H,5,8-9H2,1-3H3,(H,18,21)
InChIKeyAMXFOECWPJIJJR-UHFFFAOYSA-N
XLogP4.09
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrazol-1-ylphenyl)butanamide
CID 55766144
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]butanamide
CID 56506786
3-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]propanoic acid
CID 119252322
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-naphthalen-2-ylpropanamide
CID 39887942
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide
CID 51949351
N-[3-(4-bromoanilino)-3-oxopropyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide
CID 55952741
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-imidazol-1-ylphenyl)butanamide
CID 55670940
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]butanamide
CID 55891133
N-(3-bromophenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 99773154
3-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]-N-ethylbenzamide
CID 55724183
4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
CID 24949375
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N'-(4-fluorophenyl)butanehydrazide
CID 126799900

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-(3-bromophenyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide (CID 39886363) is N-(3-bromophenyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-(3-bromophenyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-(3-bromophenyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide is CC(C)(C)c1noc(CCCC(=O)Nc2cccc(Br)c2)n1.
What is the InChIKey of N-(3-bromophenyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is AMXFOECWPJIJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O2/c1-16(2,3)15-19-14(22-20-15)9-5-8-13(21)18-12-7-4-6-11(17)10-12/h4,6-7,10H,5,8-9H2,1-3H3,(H,18,21).
What are the key properties of N-(3-bromophenyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide?
N-(3-bromophenyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 366.26 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 39886363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).