[5-(trifluoromethyl)-1,3-oxazol-2-yl] carbamate

C5H3F3N2O3 — CID 90284947

IUPAC[5-(trifluoromethyl)-1,3-oxazol-2-yl] carbamate
SMILESNC(=O)Oc1ncc(C(F)(F)F)o1
InChIInChI=1S/C5H3F3N2O3/c6-5(7,8)2-1-10-4(12-2)13-3(9)11/h1H,(H2,9,11)
InChIKeyUSUDCYLXPPVMEF-UHFFFAOYSA-N
MW196.08 g/mol
LogP1.15
Rot. Bonds1

About [5-(trifluoromethyl)-1,3-oxazol-2-yl] carbamate

[5-(trifluoromethyl)-1,3-oxazol-2-yl] carbamate (PubChem CID 90284947) has the molecular formula C5H3F3N2O3 and a molecular weight of 196.08 g/mol. Its IUPAC name is [5-(trifluoromethyl)-1,3-oxazol-2-yl] carbamate.

Molecular Properties

Compound Name[5-(trifluoromethyl)-1,3-oxazol-2-yl] carbamate
PubChem CID90284947
Molecular FormulaC5H3F3N2O3
Molecular Weight196.08 g/mol
Exact Mass196.01
IUPAC Name[5-(trifluoromethyl)-1,3-oxazol-2-yl] carbamate
SMILESNC(=O)Oc1ncc(C(F)(F)F)o1
InChIInChI=1S/C5H3F3N2O3/c6-5(7,8)2-1-10-4(12-2)13-3(9)11/h1H,(H2,9,11)
InChIKeyUSUDCYLXPPVMEF-UHFFFAOYSA-N
XLogP1.15
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.08
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)-1,3-oxazol-2-yl] carbamate?
The IUPAC name of [5-(trifluoromethyl)-1,3-oxazol-2-yl] carbamate (CID 90284947) is [5-(trifluoromethyl)-1,3-oxazol-2-yl] carbamate.
What is the SMILES notation for [5-(trifluoromethyl)-1,3-oxazol-2-yl] carbamate?
The canonical SMILES for [5-(trifluoromethyl)-1,3-oxazol-2-yl] carbamate is NC(=O)Oc1ncc(C(F)(F)F)o1.
What is the InChIKey of [5-(trifluoromethyl)-1,3-oxazol-2-yl] carbamate?
The InChIKey is USUDCYLXPPVMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2O3/c6-5(7,8)2-1-10-4(12-2)13-3(9)11/h1H,(H2,9,11).
What are the key properties of [5-(trifluoromethyl)-1,3-oxazol-2-yl] carbamate?
[5-(trifluoromethyl)-1,3-oxazol-2-yl] carbamate has a molecular weight of 196.08 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)-1,3-oxazol-2-yl] carbamate is sourced from PubChem (CID 90284947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).