N-[2-(3-bromo-1,2-oxazol-5-yl)propan-2-yl]-2-chloroacetamide

C8H10BrClN2O2 — CID 166419720

IUPACN-[2-(3-bromo-1,2-oxazol-5-yl)propan-2-yl]-2-chloroacetamide
SMILESCC(C)(NC(=O)CCl)c1cc(Br)no1
InChIInChI=1S/C8H10BrClN2O2/c1-8(2,11-7(13)4-10)5-3-6(9)12-14-5/h3H,4H2,1-2H3,(H,11,13)
InChIKeyCJTSKGVRKDBJQQ-UHFFFAOYSA-N
MW281.54 g/mol
LogP2.03
Rot. Bonds3

About N-[2-(3-bromo-1,2-oxazol-5-yl)propan-2-yl]-2-chloroacetamide

N-[2-(3-bromo-1,2-oxazol-5-yl)propan-2-yl]-2-chloroacetamide (PubChem CID 166419720) has the molecular formula C8H10BrClN2O2 and a molecular weight of 281.54 g/mol. Its IUPAC name is N-[2-(3-bromo-1,2-oxazol-5-yl)propan-2-yl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[2-(3-bromo-1,2-oxazol-5-yl)propan-2-yl]-2-chloroacetamide
PubChem CID166419720
Molecular FormulaC8H10BrClN2O2
Molecular Weight281.54 g/mol
Exact Mass279.96
IUPAC NameN-[2-(3-bromo-1,2-oxazol-5-yl)propan-2-yl]-2-chloroacetamide
SMILESCC(C)(NC(=O)CCl)c1cc(Br)no1
InChIInChI=1S/C8H10BrClN2O2/c1-8(2,11-7(13)4-10)5-3-6(9)12-14-5/h3H,4H2,1-2H3,(H,11,13)
InChIKeyCJTSKGVRKDBJQQ-UHFFFAOYSA-N
XLogP2.03
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.54
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(3-bromo-1,2-oxazol-5-yl)propan-2-yl]-2-chloroacetamide 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

3-bromo-5-tert-butyl-1,2-oxazole
CID 59146011
N-[2-(6-bromo-2-methyl-3-pyridinyl)propan-2-yl]-2-chloroacetamide
CID 169150809
N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]-2-chloroacetamide
CID 166431442
2-chloro-N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]acetamide
CID 166406372
2-chloro-N-[2-(2,3,4-trimethylphenyl)propan-2-yl]acetamide
CID 116829580
2-bromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide
CID 137390387
N-[2-(1,3-benzoxazol-2-yl)propan-2-yl]-2-chloroacetamide
CID 166429094
2-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]-2-methylbutanoic acid
CID 119198963
3-bromo-N-propyl-1,2-oxazol-5-amine
CID 67303466
N-[(2R)-2-(3-bromophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide
CID 66931419
5-[(2R)-2-hydroxypentan-2-yl]-1,2-oxazole-3-carbohydrazide
CID 42587700
N-[3-(chloromethyl)pentan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 114304703

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromo-1,2-oxazol-5-yl)propan-2-yl]-2-chloroacetamide?
The IUPAC name of N-[2-(3-bromo-1,2-oxazol-5-yl)propan-2-yl]-2-chloroacetamide (CID 166419720) is N-[2-(3-bromo-1,2-oxazol-5-yl)propan-2-yl]-2-chloroacetamide.
What is the SMILES notation for N-[2-(3-bromo-1,2-oxazol-5-yl)propan-2-yl]-2-chloroacetamide?
The canonical SMILES for N-[2-(3-bromo-1,2-oxazol-5-yl)propan-2-yl]-2-chloroacetamide is CC(C)(NC(=O)CCl)c1cc(Br)no1.
What is the InChIKey of N-[2-(3-bromo-1,2-oxazol-5-yl)propan-2-yl]-2-chloroacetamide?
The InChIKey is CJTSKGVRKDBJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrClN2O2/c1-8(2,11-7(13)4-10)5-3-6(9)12-14-5/h3H,4H2,1-2H3,(H,11,13).
What are the key properties of N-[2-(3-bromo-1,2-oxazol-5-yl)propan-2-yl]-2-chloroacetamide?
N-[2-(3-bromo-1,2-oxazol-5-yl)propan-2-yl]-2-chloroacetamide has a molecular weight of 281.54 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromo-1,2-oxazol-5-yl)propan-2-yl]-2-chloroacetamide is sourced from PubChem (CID 166419720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).