N-(2-bromoethyl)-N-cyclohexyl-3-methyl-1,2-oxazole-5-carboxamide

C13H19BrN2O2 — CID 80659426

IUPACN-(2-bromoethyl)-N-cyclohexyl-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N(CCBr)C2CCCCC2)on1
InChIInChI=1S/C13H19BrN2O2/c1-10-9-12(18-15-10)13(17)16(8-7-14)11-5-3-2-4-6-11/h9,11H,2-8H2,1H3
InChIKeyGVZCPCKIMHKEND-UHFFFAOYSA-N
MW315.21 g/mol
LogP3.15
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclohexyl-3-methyl-1,2-oxazole-5-carboxamide

N-(2-bromoethyl)-N-cyclohexyl-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 80659426) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclohexyl-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclohexyl-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID80659426
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC NameN-(2-bromoethyl)-N-cyclohexyl-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N(CCBr)C2CCCCC2)on1
InChIInChI=1S/C13H19BrN2O2/c1-10-9-12(18-15-10)13(17)16(8-7-14)11-5-3-2-4-6-11/h9,11H,2-8H2,1H3
InChIKeyGVZCPCKIMHKEND-UHFFFAOYSA-N
XLogP3.15
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-bromoethyl)-N-cyclohexyl-3-methyl-1,2-oxazole-5-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-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methyl-1,2-oxazole-5-carboxamide
CID 76930113
N-(2-bromoethyl)-N-cyclohexyl-5-methylfuran-3-carboxamide
CID 114823139
N-(3-bromopropyl)-N,3-dimethyl-1,2-oxazole-5-carboxamide
CID 106441431
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 134026793
N-(2-bromoethyl)-N-cyclobutyl-2,5-dimethylpyrazole-3-carboxamide
CID 102873292
4-bromo-N-(2-bromoethyl)-N-cyclohexyl-2-methylbenzamide
CID 80658918
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 78811217
N-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide
CID 80658813
N-(2-bromoethyl)-3,5-dichloro-N-cyclohexylbenzamide
CID 80658625
N-(2-bromoethyl)-2-chloro-N-cyclohexylfuran-3-carboxamide
CID 106689912
N,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-1,2-oxazole-5-carboxamide
CID 94038132
N,3-dimethyl-N-piperidin-3-yl-1,2-oxazole-5-carboxamide
CID 63641758

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-3-methyl-1,2-oxazole-5-carboxamide (CID 80659426) is N-(2-bromoethyl)-N-cyclohexyl-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclohexyl-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclohexyl-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)N(CCBr)C2CCCCC2)on1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclohexyl-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is GVZCPCKIMHKEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-10-9-12(18-15-10)13(17)16(8-7-14)11-5-3-2-4-6-11/h9,11H,2-8H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclohexyl-3-methyl-1,2-oxazole-5-carboxamide?
N-(2-bromoethyl)-N-cyclohexyl-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 315.21 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclohexyl-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 80659426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).