2,2,2-trifluoroethyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcarbamate

C10H13F3N2O3 — CID 65173678

IUPAC2,2,2-trifluoroethyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcarbamate
SMILESCc1noc(C)c1CN(C)C(=O)OCC(F)(F)F
InChIInChI=1S/C10H13F3N2O3/c1-6-8(7(2)18-14-6)4-15(3)9(16)17-5-10(11,12)13/h4-5H2,1-3H3
InChIKeyOYRCHFKHGGOHMK-UHFFFAOYSA-N
MW266.22 g/mol
LogP2.42
Rot. Bonds3

About 2,2,2-trifluoroethyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcarbamate

2,2,2-trifluoroethyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcarbamate (PubChem CID 65173678) has the molecular formula C10H13F3N2O3 and a molecular weight of 266.22 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcarbamate
PubChem CID65173678
Molecular FormulaC10H13F3N2O3
Molecular Weight266.22 g/mol
Exact Mass266.09
IUPAC Name2,2,2-trifluoroethyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcarbamate
SMILESCc1noc(C)c1CN(C)C(=O)OCC(F)(F)F
InChIInChI=1S/C10H13F3N2O3/c1-6-8(7(2)18-14-6)4-15(3)9(16)17-5-10(11,12)13/h4-5H2,1-3H3
InChIKeyOYRCHFKHGGOHMK-UHFFFAOYSA-N
XLogP2.42
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcarbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcarbamate (CID 65173678) is 2,2,2-trifluoroethyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcarbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcarbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcarbamate is Cc1noc(C)c1CN(C)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcarbamate?
The InChIKey is OYRCHFKHGGOHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3/c1-6-8(7(2)18-14-6)4-15(3)9(16)17-5-10(11,12)13/h4-5H2,1-3H3.
What are the key properties of 2,2,2-trifluoroethyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcarbamate?
2,2,2-trifluoroethyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcarbamate has a molecular weight of 266.22 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcarbamate is sourced from PubChem (CID 65173678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).