N-(3-bromo-4-methylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide

C13H14BrN3O2 — CID 110333672

IUPACN-(3-bromo-4-methylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCc1nnc(CCC(=O)Nc2ccc(C)c(Br)c2)o1
InChIInChI=1S/C13H14BrN3O2/c1-8-3-4-10(7-11(8)14)15-12(18)5-6-13-17-16-9(2)19-13/h3-4,7H,5-6H2,1-2H3,(H,15,18)
InChIKeyRKGCKUKUGNMIAC-UHFFFAOYSA-N
MW324.18 g/mol
LogP3.02
Rot. Bonds4

About N-(3-bromo-4-methylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide

N-(3-bromo-4-methylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 110333672) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID110333672
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC NameN-(3-bromo-4-methylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCc1nnc(CCC(=O)Nc2ccc(C)c(Br)c2)o1
InChIInChI=1S/C13H14BrN3O2/c1-8-3-4-10(7-11(8)14)15-12(18)5-6-13-17-16-9(2)19-13/h3-4,7H,5-6H2,1-2H3,(H,15,18)
InChIKeyRKGCKUKUGNMIAC-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-4-methylphenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330578
N-(3-bromo-4-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335285
N-(3-bromo-4-methylphenyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330318
N-(4-cyanophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide
CID 110333736
3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-phenoxyphenyl)propanamide
CID 110333704
N-(3-bromo-4-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide
CID 110679078
N-(3-bromo-4-methylphenyl)-3-methoxypropanamide
CID 55209257
N-(3-bromo-4-methylphenyl)-3-pyridin-2-ylpropanamide
CID 110389230
N-(3-bromo-4-methylphenyl)-3-ethoxypropanamide
CID 55219341
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928
3-amino-N-(3-bromo-4-methylphenyl)-3-sulfanylidenepropanamide
CID 63334451
N-(2,6-dichlorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide
CID 110333728

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide (CID 110333672) is N-(3-bromo-4-methylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide is Cc1nnc(CCC(=O)Nc2ccc(C)c(Br)c2)o1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is RKGCKUKUGNMIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-8-3-4-10(7-11(8)14)15-12(18)5-6-13-17-16-9(2)19-13/h3-4,7H,5-6H2,1-2H3,(H,15,18).
What are the key properties of N-(3-bromo-4-methylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide?
N-(3-bromo-4-methylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 324.18 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 110333672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).