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

C16H13BrN4O2 — CID 110330596

IUPACN-(3-bromophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESO=C(CCc1nnc(-c2ccncc2)o1)Nc1cccc(Br)c1
InChIInChI=1S/C16H13BrN4O2/c17-12-2-1-3-13(10-12)19-14(22)4-5-15-20-21-16(23-15)11-6-8-18-9-7-11/h1-3,6-10H,4-5H2,(H,19,22)
InChIKeyQRASEZDVPRWTCI-UHFFFAOYSA-N
MW373.21 g/mol
LogP3.47
Rot. Bonds5

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

N-(3-bromophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 110330596) has the molecular formula C16H13BrN4O2 and a molecular weight of 373.21 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID110330596
Molecular FormulaC16H13BrN4O2
Molecular Weight373.21 g/mol
Exact Mass372.02
IUPAC NameN-(3-bromophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESO=C(CCc1nnc(-c2ccncc2)o1)Nc1cccc(Br)c1
InChIInChI=1S/C16H13BrN4O2/c17-12-2-1-3-13(10-12)19-14(22)4-5-15-20-21-16(23-15)11-6-8-18-9-7-11/h1-3,6-10H,4-5H2,(H,19,22)
InChIKeyQRASEZDVPRWTCI-UHFFFAOYSA-N
XLogP3.47
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-bromophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 29199706
N-(3-acetamidophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330586
N-(3-chlorophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330570
N-(3-bromo-4-methylphenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330578
N-(3-acetylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330455
N,N-dimethyl-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide
CID 43043450
N-(3-methoxyphenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335116
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-fluorophenyl)propanamide
CID 110334681
methyl 3-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzoate
CID 110330457
3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 110330590
N-(3-bromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590292
N-(3-chlorophenyl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334370

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-(3-bromophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 110330596) is N-(3-bromophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-(3-bromophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-(3-bromophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide is O=C(CCc1nnc(-c2ccncc2)o1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is QRASEZDVPRWTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O2/c17-12-2-1-3-13(10-12)19-14(22)4-5-15-20-21-16(23-15)11-6-8-18-9-7-11/h1-3,6-10H,4-5H2,(H,19,22).
What are the key properties of N-(3-bromophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-(3-bromophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 373.21 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 110330596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).