(2-tert-butyl-1,3-oxazol-4-yl)-[(2S)-2-(difluoromethyl)piperazin-1-yl]methanone

C13H19F2N3O2 — CID 164638477

IUPAC(2-tert-butyl-1,3-oxazol-4-yl)-[(2S)-2-(difluoromethyl)piperazin-1-yl]methanone
SMILESCC(C)(C)c1nc(C(=O)N2CCNC[C@H]2C(F)F)co1
InChIInChI=1S/C13H19F2N3O2/c1-13(2,3)12-17-8(7-20-12)11(19)18-5-4-16-6-9(18)10(14)15/h7,9-10,16H,4-6H2,1-3H3/t9-/m0/s1
InChIKeyXEILGXNUOQOYNY-VIFPVBQESA-N
MW287.31 g/mol
LogP1.65
Rot. Bonds2

About (2-tert-butyl-1,3-oxazol-4-yl)-[(2S)-2-(difluoromethyl)piperazin-1-yl]methanone

(2-tert-butyl-1,3-oxazol-4-yl)-[(2S)-2-(difluoromethyl)piperazin-1-yl]methanone (PubChem CID 164638477) has the molecular formula C13H19F2N3O2 and a molecular weight of 287.31 g/mol. Its IUPAC name is (2-tert-butyl-1,3-oxazol-4-yl)-[(2S)-2-(difluoromethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-tert-butyl-1,3-oxazol-4-yl)-[(2S)-2-(difluoromethyl)piperazin-1-yl]methanone
PubChem CID164638477
Molecular FormulaC13H19F2N3O2
Molecular Weight287.31 g/mol
Exact Mass287.14
IUPAC Name(2-tert-butyl-1,3-oxazol-4-yl)-[(2S)-2-(difluoromethyl)piperazin-1-yl]methanone
SMILESCC(C)(C)c1nc(C(=O)N2CCNC[C@H]2C(F)F)co1
InChIInChI=1S/C13H19F2N3O2/c1-13(2,3)12-17-8(7-20-12)11(19)18-5-4-16-6-9(18)10(14)15/h7,9-10,16H,4-6H2,1-3H3/t9-/m0/s1
InChIKeyXEILGXNUOQOYNY-VIFPVBQESA-N
XLogP1.65
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-1,3-oxazol-4-yl)-[(2S)-2-(difluoromethyl)piperazin-1-yl]methanone?
The IUPAC name of (2-tert-butyl-1,3-oxazol-4-yl)-[(2S)-2-(difluoromethyl)piperazin-1-yl]methanone (CID 164638477) is (2-tert-butyl-1,3-oxazol-4-yl)-[(2S)-2-(difluoromethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-tert-butyl-1,3-oxazol-4-yl)-[(2S)-2-(difluoromethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-tert-butyl-1,3-oxazol-4-yl)-[(2S)-2-(difluoromethyl)piperazin-1-yl]methanone is CC(C)(C)c1nc(C(=O)N2CCNC[C@H]2C(F)F)co1.
What is the InChIKey of (2-tert-butyl-1,3-oxazol-4-yl)-[(2S)-2-(difluoromethyl)piperazin-1-yl]methanone?
The InChIKey is XEILGXNUOQOYNY-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19F2N3O2/c1-13(2,3)12-17-8(7-20-12)11(19)18-5-4-16-6-9(18)10(14)15/h7,9-10,16H,4-6H2,1-3H3/t9-/m0/s1.
What are the key properties of (2-tert-butyl-1,3-oxazol-4-yl)-[(2S)-2-(difluoromethyl)piperazin-1-yl]methanone?
(2-tert-butyl-1,3-oxazol-4-yl)-[(2S)-2-(difluoromethyl)piperazin-1-yl]methanone has a molecular weight of 287.31 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-1,3-oxazol-4-yl)-[(2S)-2-(difluoromethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 164638477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).