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

C10H13Cl3N2O3 — CID 66728713

IUPAC2,2,2-trichloroethyl N-(3-tert-butyl-1,2-oxazol-5-yl)carbamate
SMILESCC(C)(C)c1cc(NC(=O)OCC(Cl)(Cl)Cl)on1
InChIInChI=1S/C10H13Cl3N2O3/c1-9(2,3)6-4-7(18-15-6)14-8(16)17-5-10(11,12)13/h4H,5H2,1-3H3,(H,14,16)
InChIKeyCIVCNCIPJLNYCP-UHFFFAOYSA-N
MW315.58 g/mol
LogP3.89
Rot. Bonds2

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

2,2,2-trichloroethyl N-(3-tert-butyl-1,2-oxazol-5-yl)carbamate (PubChem CID 66728713) has the molecular formula C10H13Cl3N2O3 and a molecular weight of 315.58 g/mol. Its IUPAC name is 2,2,2-trichloroethyl N-(3-tert-butyl-1,2-oxazol-5-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trichloroethyl N-(3-tert-butyl-1,2-oxazol-5-yl)carbamate
PubChem CID66728713
Molecular FormulaC10H13Cl3N2O3
Molecular Weight315.58 g/mol
Exact Mass314.00
IUPAC Name2,2,2-trichloroethyl N-(3-tert-butyl-1,2-oxazol-5-yl)carbamate
SMILESCC(C)(C)c1cc(NC(=O)OCC(Cl)(Cl)Cl)on1
InChIInChI=1S/C10H13Cl3N2O3/c1-9(2,3)6-4-7(18-15-6)14-8(16)17-5-10(11,12)13/h4H,5H2,1-3H3,(H,14,16)
InChIKeyCIVCNCIPJLNYCP-UHFFFAOYSA-N
XLogP3.89
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.58
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloroethyl N-(3-tert-butyl-1,2-oxazol-5-yl)carbamate?
The IUPAC name of 2,2,2-trichloroethyl N-(3-tert-butyl-1,2-oxazol-5-yl)carbamate (CID 66728713) is 2,2,2-trichloroethyl N-(3-tert-butyl-1,2-oxazol-5-yl)carbamate.
What is the SMILES notation for 2,2,2-trichloroethyl N-(3-tert-butyl-1,2-oxazol-5-yl)carbamate?
The canonical SMILES for 2,2,2-trichloroethyl N-(3-tert-butyl-1,2-oxazol-5-yl)carbamate is CC(C)(C)c1cc(NC(=O)OCC(Cl)(Cl)Cl)on1.
What is the InChIKey of 2,2,2-trichloroethyl N-(3-tert-butyl-1,2-oxazol-5-yl)carbamate?
The InChIKey is CIVCNCIPJLNYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl3N2O3/c1-9(2,3)6-4-7(18-15-6)14-8(16)17-5-10(11,12)13/h4H,5H2,1-3H3,(H,14,16).
What are the key properties of 2,2,2-trichloroethyl N-(3-tert-butyl-1,2-oxazol-5-yl)carbamate?
2,2,2-trichloroethyl N-(3-tert-butyl-1,2-oxazol-5-yl)carbamate has a molecular weight of 315.58 g/mol, XLogP of 3.89, 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-(3-tert-butyl-1,2-oxazol-5-yl)carbamate is sourced from PubChem (CID 66728713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).