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

C13H14BrN3O2 — CID 110368262

IUPAC3-bromo-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCC(C)c1nnc(CNC(=O)c2cccc(Br)c2)o1
InChIInChI=1S/C13H14BrN3O2/c1-8(2)13-17-16-11(19-13)7-15-12(18)9-4-3-5-10(14)6-9/h3-6,8H,7H2,1-2H3,(H,15,18)
InChIKeyZRHMIZCGBNDGBG-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.89
Rot. Bonds4

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

3-bromo-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 110368262) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 3-bromo-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
PubChem CID110368262
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name3-bromo-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCC(C)c1nnc(CNC(=O)c2cccc(Br)c2)o1
InChIInChI=1S/C13H14BrN3O2/c1-8(2)13-17-16-11(19-13)7-15-12(18)9-4-3-5-10(14)6-9/h3-6,8H,7H2,1-2H3,(H,15,18)
InChIKeyZRHMIZCGBNDGBG-UHFFFAOYSA-N
XLogP2.89
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319675
3-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 47344966
3,4,5-trimethoxy-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110368276
2-fluoro-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110368258
3-(dimethylsulfamoyl)-4-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110368295
N-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
CID 110393138
3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 68670377
3,4-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110368440
3-bromo-N-(2-methylbutyl)benzamide
CID 62693100
1-(3-chlorophenyl)-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110368299
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(propanoylamino)benzamide
CID 46998360
5-[[(3-bromobenzoyl)amino]methyl]furan-2-carboxamide
CID 75423881

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The IUPAC name of 3-bromo-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 110368262) is 3-bromo-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-bromo-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-bromo-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is CC(C)c1nnc(CNC(=O)c2cccc(Br)c2)o1.
What is the InChIKey of 3-bromo-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The InChIKey is ZRHMIZCGBNDGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-8(2)13-17-16-11(19-13)7-15-12(18)9-4-3-5-10(14)6-9/h3-6,8H,7H2,1-2H3,(H,15,18).
What are the key properties of 3-bromo-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
3-bromo-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 324.18 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 110368262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).