N-[[5-[5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide

C15H13BrN4O2S — CID 53126075

IUPACN-[[5-[5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1ccc(-c2noc(-c3cncc(Br)c3)n2)s1
InChIInChI=1S/C15H13BrN4O2S/c1-2-13(21)18-8-11-3-4-12(23-11)14-19-15(22-20-14)9-5-10(16)7-17-6-9/h3-7H,2,8H2,1H3,(H,18,21)
InChIKeySSPAVVHQCLPROG-UHFFFAOYSA-N
MW393.27 g/mol
LogP3.65
Rot. Bonds5

About N-[[5-[5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide

N-[[5-[5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide (PubChem CID 53126075) has the molecular formula C15H13BrN4O2S and a molecular weight of 393.27 g/mol. Its IUPAC name is N-[[5-[5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[5-[5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
PubChem CID53126075
Molecular FormulaC15H13BrN4O2S
Molecular Weight393.27 g/mol
Exact Mass391.99
IUPAC NameN-[[5-[5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1ccc(-c2noc(-c3cncc(Br)c3)n2)s1
InChIInChI=1S/C15H13BrN4O2S/c1-2-13(21)18-8-11-3-4-12(23-11)14-19-15(22-20-14)9-5-10(16)7-17-6-9/h3-7H,2,8H2,1H3,(H,18,21)
InChIKeySSPAVVHQCLPROG-UHFFFAOYSA-N
XLogP3.65
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-[5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]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-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
CID 53126080
N-[[5-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
CID 53126101
N-[[3-[5-[(propanoylamino)methyl]thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53126049
N-[[5-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
CID 53126098
N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]acetamide
CID 53126019
N-[[5-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
CID 95092058
N-[[5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 53126134
N-[[5-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 53126197
1-[3-[5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea
CID 53005891
N-[[5-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 53126126
N-[[3-[5-(acetamidomethyl)thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53125965
N-[[5-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]acetamide
CID 53126007

Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide?
The IUPAC name of N-[[5-[5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide (CID 53126075) is N-[[5-[5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[5-[5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide?
The canonical SMILES for N-[[5-[5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide is CCC(=O)NCc1ccc(-c2noc(-c3cncc(Br)c3)n2)s1.
What is the InChIKey of N-[[5-[5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide?
The InChIKey is SSPAVVHQCLPROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O2S/c1-2-13(21)18-8-11-3-4-12(23-11)14-19-15(22-20-14)9-5-10(16)7-17-6-9/h3-7H,2,8H2,1H3,(H,18,21).
What are the key properties of N-[[5-[5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide?
N-[[5-[5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide has a molecular weight of 393.27 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide is sourced from PubChem (CID 53126075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).