N-(5-bromo-4-methylpentyl)-1,2-oxazole-3-carboxamide

C10H15BrN2O2 — CID 106157906

IUPACN-(5-bromo-4-methylpentyl)-1,2-oxazole-3-carboxamide
SMILESCC(CBr)CCCNC(=O)c1ccon1
InChIInChI=1S/C10H15BrN2O2/c1-8(7-11)3-2-5-12-10(14)9-4-6-15-13-9/h4,6,8H,2-3,5,7H2,1H3,(H,12,14)
InChIKeyLBEUWQFKNNHNNL-UHFFFAOYSA-N
MW275.15 g/mol
LogP2.22
Rot. Bonds6

About N-(5-bromo-4-methylpentyl)-1,2-oxazole-3-carboxamide

N-(5-bromo-4-methylpentyl)-1,2-oxazole-3-carboxamide (PubChem CID 106157906) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is N-(5-bromo-4-methylpentyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-methylpentyl)-1,2-oxazole-3-carboxamide
PubChem CID106157906
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC NameN-(5-bromo-4-methylpentyl)-1,2-oxazole-3-carboxamide
SMILESCC(CBr)CCCNC(=O)c1ccon1
InChIInChI=1S/C10H15BrN2O2/c1-8(7-11)3-2-5-12-10(14)9-4-6-15-13-9/h4,6,8H,2-3,5,7H2,1H3,(H,12,14)
InChIKeyLBEUWQFKNNHNNL-UHFFFAOYSA-N
XLogP2.22
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(5-bromo-4-methylpentyl)-1,2-oxazole-3-carboxamide 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-methylbutyl)-1,2-oxazole-3-carboxamide
CID 110693766
N-(3-bromo-4-methoxybutyl)-1,2-oxazole-3-carboxamide
CID 106245303
N-(5-bromo-4-methylpentyl)pyridine-2-carboxamide
CID 106157892
N-[2-(methylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 62659468
N-(5-bromo-4-methylpentyl)-4-chlorobenzamide
CID 106157415
N-(4-amino-4-sulfanylidenebutyl)-1,2-oxazole-3-carboxamide
CID 62666020
N-(5-bromo-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 106157282
N-(4-chlorobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 83187340
N-(5-bromo-4-methylpentyl)-1-benzofuran-3-carboxamide
CID 106157815
4-bromo-N-(5-bromo-4-methylpentyl)-2-methylbenzamide
CID 106157759
N-(5-bromo-4-methylpentyl)-1-methylpyrazole-4-carboxamide
CID 106157531
2-bromo-N-(5-bromo-4-methylpentyl)-5-iodobenzamide
CID 106157956

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methylpentyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5-bromo-4-methylpentyl)-1,2-oxazole-3-carboxamide (CID 106157906) is N-(5-bromo-4-methylpentyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5-bromo-4-methylpentyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5-bromo-4-methylpentyl)-1,2-oxazole-3-carboxamide is CC(CBr)CCCNC(=O)c1ccon1.
What is the InChIKey of N-(5-bromo-4-methylpentyl)-1,2-oxazole-3-carboxamide?
The InChIKey is LBEUWQFKNNHNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-8(7-11)3-2-5-12-10(14)9-4-6-15-13-9/h4,6,8H,2-3,5,7H2,1H3,(H,12,14).
What are the key properties of N-(5-bromo-4-methylpentyl)-1,2-oxazole-3-carboxamide?
N-(5-bromo-4-methylpentyl)-1,2-oxazole-3-carboxamide has a molecular weight of 275.15 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methylpentyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 106157906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).