N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide

C12H17BrN2O2 — CID 114317011

IUPACN-[[2-(bromomethyl)cyclopentyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCC2CCCC2CBr)on1
InChIInChI=1S/C12H17BrN2O2/c1-8-5-11(17-15-8)12(16)14-7-10-4-2-3-9(10)6-13/h5,9-10H,2-4,6-7H2,1H3,(H,14,16)
InChIKeyQGSWFYDFVRHRKQ-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.52
Rot. Bonds4

About N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 114317011) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclopentyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID114317011
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC NameN-[[2-(bromomethyl)cyclopentyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCC2CCCC2CBr)on1
InChIInChI=1S/C12H17BrN2O2/c1-8-5-11(17-15-8)12(16)14-7-10-4-2-3-9(10)6-13/h5,9-10H,2-4,6-7H2,1H3,(H,14,16)
InChIKeyQGSWFYDFVRHRKQ-UHFFFAOYSA-N
XLogP2.52
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[2-(bromomethyl)cyclopentyl]methyl]-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-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 129001930
N-[(3-hydroxycyclopentyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 103280197
N-[(3-chlorocyclopentyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 106127580
3-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119464222
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylfuran-2-carboxamide
CID 114317234
3-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-5-carboxamide
CID 114618847
N-[[2-(bromomethyl)cyclopentyl]methyl]pyrimidine-5-carboxamide
CID 102922809
3-methyl-N-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexyl]-1,2-oxazole-5-carboxamide
CID 127423482
N-[[2-(bromomethyl)cyclopentyl]methyl]-3,5-dimethoxybenzamide
CID 114317235
3-butan-2-yl-N-[(2-hydroxycyclopentyl)methyl]-1,2-oxazole-5-carboxamide
CID 111471313
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylfuran-2-carboxamide
CID 114317495
N-(2-bromoethyl)-N-cyclohexyl-3-methyl-1,2-oxazole-5-carboxamide
CID 80659426

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 114317011) is N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NCC2CCCC2CBr)on1.
What is the InChIKey of N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is QGSWFYDFVRHRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-8-5-11(17-15-8)12(16)14-7-10-4-2-3-9(10)6-13/h5,9-10H,2-4,6-7H2,1H3,(H,14,16).
What are the key properties of N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 301.18 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 114317011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).