tert-butyl (2R,6S)-2,6-dimethyl-4-[5-(trifluoromethyl)-1,3-oxazol-2-yl]piperazine-1-carboxylate

C15H22F3N3O3 — CID 175727102

IUPACtert-butyl (2R,6S)-2,6-dimethyl-4-[5-(trifluoromethyl)-1,3-oxazol-2-yl]piperazine-1-carboxylate
SMILESC[C@@H]1CN(c2ncc(C(F)(F)F)o2)C[C@H](C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H22F3N3O3/c1-9-7-20(12-19-6-11(23-12)15(16,17)18)8-10(2)21(9)13(22)24-14(3,4)5/h6,9-10H,7-8H2,1-5H3/t9-,10+
InChIKeyRVIWJOVSMHIKTR-AOOOYVTPSA-N
MW349.35 g/mol
LogP3.53
Rot. Bonds1

About tert-butyl (2R,6S)-2,6-dimethyl-4-[5-(trifluoromethyl)-1,3-oxazol-2-yl]piperazine-1-carboxylate

tert-butyl (2R,6S)-2,6-dimethyl-4-[5-(trifluoromethyl)-1,3-oxazol-2-yl]piperazine-1-carboxylate (PubChem CID 175727102) has the molecular formula C15H22F3N3O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is tert-butyl (2R,6S)-2,6-dimethyl-4-[5-(trifluoromethyl)-1,3-oxazol-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,6S)-2,6-dimethyl-4-[5-(trifluoromethyl)-1,3-oxazol-2-yl]piperazine-1-carboxylate
PubChem CID175727102
Molecular FormulaC15H22F3N3O3
Molecular Weight349.35 g/mol
Exact Mass349.16
IUPAC Nametert-butyl (2R,6S)-2,6-dimethyl-4-[5-(trifluoromethyl)-1,3-oxazol-2-yl]piperazine-1-carboxylate
SMILESC[C@@H]1CN(c2ncc(C(F)(F)F)o2)C[C@H](C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H22F3N3O3/c1-9-7-20(12-19-6-11(23-12)15(16,17)18)8-10(2)21(9)13(22)24-14(3,4)5/h6,9-10H,7-8H2,1-5H3/t9-,10+
InChIKeyRVIWJOVSMHIKTR-AOOOYVTPSA-N
XLogP3.53
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,6S)-2,6-dimethyl-4-[5-(trifluoromethyl)-1,3-oxazol-2-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl (2R,6S)-2,6-dimethyl-4-[5-(trifluoromethyl)-1,3-oxazol-2-yl]piperazine-1-carboxylate (CID 175727102) is tert-butyl (2R,6S)-2,6-dimethyl-4-[5-(trifluoromethyl)-1,3-oxazol-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,6S)-2,6-dimethyl-4-[5-(trifluoromethyl)-1,3-oxazol-2-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,6S)-2,6-dimethyl-4-[5-(trifluoromethyl)-1,3-oxazol-2-yl]piperazine-1-carboxylate is C[C@@H]1CN(c2ncc(C(F)(F)F)o2)C[C@H](C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,6S)-2,6-dimethyl-4-[5-(trifluoromethyl)-1,3-oxazol-2-yl]piperazine-1-carboxylate?
The InChIKey is RVIWJOVSMHIKTR-AOOOYVTPSA-N. The full InChI is InChI=1S/C15H22F3N3O3/c1-9-7-20(12-19-6-11(23-12)15(16,17)18)8-10(2)21(9)13(22)24-14(3,4)5/h6,9-10H,7-8H2,1-5H3/t9-,10+.
What are the key properties of tert-butyl (2R,6S)-2,6-dimethyl-4-[5-(trifluoromethyl)-1,3-oxazol-2-yl]piperazine-1-carboxylate?
tert-butyl (2R,6S)-2,6-dimethyl-4-[5-(trifluoromethyl)-1,3-oxazol-2-yl]piperazine-1-carboxylate has a molecular weight of 349.35 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,6S)-2,6-dimethyl-4-[5-(trifluoromethyl)-1,3-oxazol-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 175727102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).