N-(3-chloro-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide

C9H13ClN2O2 — CID 115364627

IUPACN-(3-chloro-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)(CCl)CNC(=O)c1ccon1
InChIInChI=1S/C9H13ClN2O2/c1-9(2,5-10)6-11-8(13)7-3-4-14-12-7/h3-4H,5-6H2,1-2H3,(H,11,13)
InChIKeyDYNNGBYDMHHAAL-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.67
Rot. Bonds4

About N-(3-chloro-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide

N-(3-chloro-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 115364627) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is N-(3-chloro-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID115364627
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC NameN-(3-chloro-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)(CCl)CNC(=O)c1ccon1
InChIInChI=1S/C9H13ClN2O2/c1-9(2,5-10)6-11-8(13)7-3-4-14-12-7/h3-4H,5-6H2,1-2H3,(H,11,13)
InChIKeyDYNNGBYDMHHAAL-UHFFFAOYSA-N
XLogP1.67
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-chloro-2,2-dimethylpropyl)-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-amino-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
CID 83619403
N-(2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
CID 130679942
N-(chloromethyl)-1,2-oxazole-3-carboxamide
CID 91516447
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1,2-oxazole-3-carboxamide
CID 111481145
N-[2-(methylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 62659468
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-1,2-oxazole-3-carboxamide
CID 71935205
N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 110693766
N-(4-chlorobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 83187340
tert-butyl N-[2-methyl-1-(1,2-oxazole-3-carbonylamino)hexan-2-yl]carbamate
CID 175479004
N-[3-(hydroxymethyl)pentan-3-yl]-1,2-oxazole-3-carboxamide
CID 62520148
N-(3-chloro-2,2-dimethylpropyl)-1-methylimidazole-4-carboxamide
CID 107975187
N-[4-(chloromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 114299970

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-chloro-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide (CID 115364627) is N-(3-chloro-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide is CC(C)(CCl)CNC(=O)c1ccon1.
What is the InChIKey of N-(3-chloro-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is DYNNGBYDMHHAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c1-9(2,5-10)6-11-8(13)7-3-4-14-12-7/h3-4H,5-6H2,1-2H3,(H,11,13).
What are the key properties of N-(3-chloro-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide?
N-(3-chloro-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 216.67 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 115364627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).