2,2,2-trichloroethyl N-(5-methyl-1,2-oxazol-3-yl)carbamate

C7H7Cl3N2O3 — CID 86245081

IUPAC2,2,2-trichloroethyl N-(5-methyl-1,2-oxazol-3-yl)carbamate
SMILESCc1cc(NC(=O)OCC(Cl)(Cl)Cl)no1
InChIInChI=1S/C7H7Cl3N2O3/c1-4-2-5(12-15-4)11-6(13)14-3-7(8,9)10/h2H,3H2,1H3,(H,11,12,13)
InChIKeyKUDJDIJQVQCOMJ-UHFFFAOYSA-N
MW273.50 g/mol
LogP2.90
Rot. Bonds2

About 2,2,2-trichloroethyl N-(5-methyl-1,2-oxazol-3-yl)carbamate

2,2,2-trichloroethyl N-(5-methyl-1,2-oxazol-3-yl)carbamate (PubChem CID 86245081) has the molecular formula C7H7Cl3N2O3 and a molecular weight of 273.50 g/mol. Its IUPAC name is 2,2,2-trichloroethyl N-(5-methyl-1,2-oxazol-3-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trichloroethyl N-(5-methyl-1,2-oxazol-3-yl)carbamate
PubChem CID86245081
Molecular FormulaC7H7Cl3N2O3
Molecular Weight273.50 g/mol
Exact Mass271.95
IUPAC Name2,2,2-trichloroethyl N-(5-methyl-1,2-oxazol-3-yl)carbamate
SMILESCc1cc(NC(=O)OCC(Cl)(Cl)Cl)no1
InChIInChI=1S/C7H7Cl3N2O3/c1-4-2-5(12-15-4)11-6(13)14-3-7(8,9)10/h2H,3H2,1H3,(H,11,12,13)
InChIKeyKUDJDIJQVQCOMJ-UHFFFAOYSA-N
XLogP2.90
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.50
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2,2-trichloroethyl N-(5-methyl-1,2-oxazol-3-yl)carbamate 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

2,2,2-trichloroethyl N-(3-tert-butyl-1,2-oxazol-5-yl)carbamate
CID 66728713
2,2,2-trichloroethyl N-pyrazin-2-ylcarbamate
CID 68777403
phenyl N-(5-methyl-1,2-oxazol-3-yl)carbamate
CID 4519264
ethyl N-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]ethyl]carbamate
CID 108812202
ethyl N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]carbamate
CID 112990393
N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996069
1-(2-chloroethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812112
(2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 79024953
2-methyl-2-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 62836911
6-chloro-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 2777055
(5-methyl-1,2-oxazol-3-yl)thiourea
CID 2771005
N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 95368923

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloroethyl N-(5-methyl-1,2-oxazol-3-yl)carbamate?
The IUPAC name of 2,2,2-trichloroethyl N-(5-methyl-1,2-oxazol-3-yl)carbamate (CID 86245081) is 2,2,2-trichloroethyl N-(5-methyl-1,2-oxazol-3-yl)carbamate.
What is the SMILES notation for 2,2,2-trichloroethyl N-(5-methyl-1,2-oxazol-3-yl)carbamate?
The canonical SMILES for 2,2,2-trichloroethyl N-(5-methyl-1,2-oxazol-3-yl)carbamate is Cc1cc(NC(=O)OCC(Cl)(Cl)Cl)no1.
What is the InChIKey of 2,2,2-trichloroethyl N-(5-methyl-1,2-oxazol-3-yl)carbamate?
The InChIKey is KUDJDIJQVQCOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl3N2O3/c1-4-2-5(12-15-4)11-6(13)14-3-7(8,9)10/h2H,3H2,1H3,(H,11,12,13).
What are the key properties of 2,2,2-trichloroethyl N-(5-methyl-1,2-oxazol-3-yl)carbamate?
2,2,2-trichloroethyl N-(5-methyl-1,2-oxazol-3-yl)carbamate has a molecular weight of 273.50 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloroethyl N-(5-methyl-1,2-oxazol-3-yl)carbamate is sourced from PubChem (CID 86245081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).