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

C17H15BrN4O2 — CID 110330318

IUPACN-(3-bromo-4-methylphenyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCc1ccc(NC(=O)CCc2nnc(-c3ccccn3)o2)cc1Br
InChIInChI=1S/C17H15BrN4O2/c1-11-5-6-12(10-13(11)18)20-15(23)7-8-16-21-22-17(24-16)14-4-2-3-9-19-14/h2-6,9-10H,7-8H2,1H3,(H,20,23)
InChIKeyDGOHNDNVASQDSS-UHFFFAOYSA-N
MW387.24 g/mol
LogP3.77
Rot. Bonds5

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

N-(3-bromo-4-methylphenyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 110330318) has the molecular formula C17H15BrN4O2 and a molecular weight of 387.24 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID110330318
Molecular FormulaC17H15BrN4O2
Molecular Weight387.24 g/mol
Exact Mass386.04
IUPAC NameN-(3-bromo-4-methylphenyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCc1ccc(NC(=O)CCc2nnc(-c3ccccn3)o2)cc1Br
InChIInChI=1S/C17H15BrN4O2/c1-11-5-6-12(10-13(11)18)20-15(23)7-8-16-21-22-17(24-16)14-4-2-3-9-19-14/h2-6,9-10H,7-8H2,1H3,(H,20,23)
InChIKeyDGOHNDNVASQDSS-UHFFFAOYSA-N
XLogP3.77
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 53.77
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-phenyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330293
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-methyl-1,3,4-oxadiazol-2-yl)propanamide
CID 110333672
N-(3-chlorophenyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330310
N-(3-bromo-4-methylphenyl)-3-pyridin-2-ylpropanamide
CID 110389230
N-(4-propan-2-yloxyphenyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330322
N-(2-fluorophenyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330308
N-butyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330217
N-(2-phenylethyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330251
4-bromo-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110320517
N-(4-acetamido-3-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 46421722

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 110330318) is N-(3-bromo-4-methylphenyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide is Cc1ccc(NC(=O)CCc2nnc(-c3ccccn3)o2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is DGOHNDNVASQDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O2/c1-11-5-6-12(10-13(11)18)20-15(23)7-8-16-21-22-17(24-16)14-4-2-3-9-19-14/h2-6,9-10H,7-8H2,1H3,(H,20,23).
What are the key properties of N-(3-bromo-4-methylphenyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-(3-bromo-4-methylphenyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 387.24 g/mol, XLogP of 3.77, 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-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 110330318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).