2,2,2-trifluoroethyl N-(4,5-dimethyl-1,3-oxazol-2-yl)carbamate

C8H9F3N2O3 — CID 71758726

IUPAC2,2,2-trifluoroethyl N-(4,5-dimethyl-1,3-oxazol-2-yl)carbamate
SMILESCc1nc(NC(=O)OCC(F)(F)F)oc1C
InChIInChI=1S/C8H9F3N2O3/c1-4-5(2)16-6(12-4)13-7(14)15-3-8(9,10)11/h3H2,1-2H3,(H,12,13,14)
InChIKeyXVTVVAWOLRAVPL-UHFFFAOYSA-N
MW238.16 g/mol
LogP2.40
Rot. Bonds2

About 2,2,2-trifluoroethyl N-(4,5-dimethyl-1,3-oxazol-2-yl)carbamate

2,2,2-trifluoroethyl N-(4,5-dimethyl-1,3-oxazol-2-yl)carbamate (PubChem CID 71758726) has the molecular formula C8H9F3N2O3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(4,5-dimethyl-1,3-oxazol-2-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(4,5-dimethyl-1,3-oxazol-2-yl)carbamate
PubChem CID71758726
Molecular FormulaC8H9F3N2O3
Molecular Weight238.16 g/mol
Exact Mass238.06
IUPAC Name2,2,2-trifluoroethyl N-(4,5-dimethyl-1,3-oxazol-2-yl)carbamate
SMILESCc1nc(NC(=O)OCC(F)(F)F)oc1C
InChIInChI=1S/C8H9F3N2O3/c1-4-5(2)16-6(12-4)13-7(14)15-3-8(9,10)11/h3H2,1-2H3,(H,12,13,14)
InChIKeyXVTVVAWOLRAVPL-UHFFFAOYSA-N
XLogP2.40
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 52.40
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-(4,5-dimethyl-1,3-oxazol-2-yl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(4,5-dimethyl-1,3-oxazol-2-yl)carbamate (CID 71758726) is 2,2,2-trifluoroethyl N-(4,5-dimethyl-1,3-oxazol-2-yl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(4,5-dimethyl-1,3-oxazol-2-yl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(4,5-dimethyl-1,3-oxazol-2-yl)carbamate is Cc1nc(NC(=O)OCC(F)(F)F)oc1C.
What is the InChIKey of 2,2,2-trifluoroethyl N-(4,5-dimethyl-1,3-oxazol-2-yl)carbamate?
The InChIKey is XVTVVAWOLRAVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3/c1-4-5(2)16-6(12-4)13-7(14)15-3-8(9,10)11/h3H2,1-2H3,(H,12,13,14).
What are the key properties of 2,2,2-trifluoroethyl N-(4,5-dimethyl-1,3-oxazol-2-yl)carbamate?
2,2,2-trifluoroethyl N-(4,5-dimethyl-1,3-oxazol-2-yl)carbamate has a molecular weight of 238.16 g/mol, XLogP of 2.40, 2 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-(4,5-dimethyl-1,3-oxazol-2-yl)carbamate is sourced from PubChem (CID 71758726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).