tert-butyl N-[(1R)-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate

C10H14F3N3O3 — CID 59438763

IUPACtert-butyl N-[(1R)-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)c1nnc(C(F)(F)F)o1
InChIInChI=1S/C10H14F3N3O3/c1-5(14-8(17)19-9(2,3)4)6-15-16-7(18-6)10(11,12)13/h5H,1-4H3,(H,14,17)/t5-/m1/s1
InChIKeyADXAQRFULSWLMJ-RXMQYKEDSA-N
MW281.23 g/mol
LogP2.67
Rot. Bonds2

About tert-butyl N-[(1R)-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate

tert-butyl N-[(1R)-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate (PubChem CID 59438763) has the molecular formula C10H14F3N3O3 and a molecular weight of 281.23 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
PubChem CID59438763
Molecular FormulaC10H14F3N3O3
Molecular Weight281.23 g/mol
Exact Mass281.10
IUPAC Nametert-butyl N-[(1R)-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)c1nnc(C(F)(F)F)o1
InChIInChI=1S/C10H14F3N3O3/c1-5(14-8(17)19-9(2,3)4)6-15-16-7(18-6)10(11,12)13/h5H,1-4H3,(H,14,17)/t5-/m1/s1
InChIKeyADXAQRFULSWLMJ-RXMQYKEDSA-N
XLogP2.67
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate (CID 59438763) is tert-butyl N-[(1R)-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate is C[C@@H](NC(=O)OC(C)(C)C)c1nnc(C(F)(F)F)o1.
What is the InChIKey of tert-butyl N-[(1R)-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate?
The InChIKey is ADXAQRFULSWLMJ-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H14F3N3O3/c1-5(14-8(17)19-9(2,3)4)6-15-16-7(18-6)10(11,12)13/h5H,1-4H3,(H,14,17)/t5-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate?
tert-butyl N-[(1R)-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate has a molecular weight of 281.23 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate is sourced from PubChem (CID 59438763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).