2,2,2-trifluoroethyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate

C9H11F3N2O3 — CID 103947051

IUPAC2,2,2-trifluoroethyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate
SMILESCc1cnc(C(C)NC(=O)OCC(F)(F)F)o1
InChIInChI=1S/C9H11F3N2O3/c1-5-3-13-7(17-5)6(2)14-8(15)16-4-9(10,11)12/h3,6H,4H2,1-2H3,(H,14,15)
InChIKeyZPISDUGUDQTZIA-UHFFFAOYSA-N
MW252.19 g/mol
LogP2.33
Rot. Bonds3

About 2,2,2-trifluoroethyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate

2,2,2-trifluoroethyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate (PubChem CID 103947051) has the molecular formula C9H11F3N2O3 and a molecular weight of 252.19 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate
PubChem CID103947051
Molecular FormulaC9H11F3N2O3
Molecular Weight252.19 g/mol
Exact Mass252.07
IUPAC Name2,2,2-trifluoroethyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate
SMILESCc1cnc(C(C)NC(=O)OCC(F)(F)F)o1
InChIInChI=1S/C9H11F3N2O3/c1-5-3-13-7(17-5)6(2)14-8(15)16-4-9(10,11)12/h3,6H,4H2,1-2H3,(H,14,15)
InChIKeyZPISDUGUDQTZIA-UHFFFAOYSA-N
XLogP2.33
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate (CID 103947051) is 2,2,2-trifluoroethyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate is Cc1cnc(C(C)NC(=O)OCC(F)(F)F)o1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate?
The InChIKey is ZPISDUGUDQTZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O3/c1-5-3-13-7(17-5)6(2)14-8(15)16-4-9(10,11)12/h3,6H,4H2,1-2H3,(H,14,15).
What are the key properties of 2,2,2-trifluoroethyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate?
2,2,2-trifluoroethyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate has a molecular weight of 252.19 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 103947051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).