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

C16H14BrN3O2S — CID 110335285

IUPACN-(3-bromo-4-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCc1ccc(NC(=O)CCc2nnc(-c3cccs3)o2)cc1Br
InChIInChI=1S/C16H14BrN3O2S/c1-10-4-5-11(9-12(10)17)18-14(21)6-7-15-19-20-16(22-15)13-3-2-8-23-13/h2-5,8-9H,6-7H2,1H3,(H,18,21)
InChIKeyJGRSRMLUMCSNIH-UHFFFAOYSA-N
MW392.28 g/mol
LogP4.44
Rot. Bonds5

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

N-(3-bromo-4-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 110335285) has the molecular formula C16H14BrN3O2S and a molecular weight of 392.28 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID110335285
Molecular FormulaC16H14BrN3O2S
Molecular Weight392.28 g/mol
Exact Mass391.00
IUPAC NameN-(3-bromo-4-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCc1ccc(NC(=O)CCc2nnc(-c3cccs3)o2)cc1Br
InChIInChI=1S/C16H14BrN3O2S/c1-10-4-5-11(9-12(10)17)18-14(21)6-7-15-19-20-16(22-15)13-3-2-8-23-13/h2-5,8-9H,6-7H2,1H3,(H,18,21)
InChIKeyJGRSRMLUMCSNIH-UHFFFAOYSA-N
XLogP4.44
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-methyl-1,3,4-oxadiazol-2-yl)propanamide
CID 110333672
N-(3-bromo-4-methylphenyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330318
N-(4-ethoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335290
N-(4-pyrrolidin-1-ylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335310
N-cyclopropyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335163
2-methoxyethyl-[2-(3-methylanilino)-2-oxoethyl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
CID 9375189
N-[(4-methylphenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53161973
N-(3-bromophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330596
N-(4-acetamido-3-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 46421722
N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 110322424
N-(thiophen-2-ylmethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53161971

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 110335285) is N-(3-bromo-4-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide is Cc1ccc(NC(=O)CCc2nnc(-c3cccs3)o2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is JGRSRMLUMCSNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2S/c1-10-4-5-11(9-12(10)17)18-14(21)6-7-15-19-20-16(22-15)13-3-2-8-23-13/h2-5,8-9H,6-7H2,1H3,(H,18,21).
What are the key properties of N-(3-bromo-4-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-(3-bromo-4-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 392.28 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 110335285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).