N-[(2S)-1-[1-[6-(2,2,2-trifluoroethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide

C19H24F3N3O4 — CID 58484027

IUPACN-[(2S)-1-[1-[6-(2,2,2-trifluoroethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CCN(c2nc3ccc(OCC(F)(F)F)cc3o2)CC1
InChIInChI=1S/C19H24F3N3O4/c1-12(23-13(2)26)10-27-14-5-7-25(8-6-14)18-24-16-4-3-15(9-17(16)29-18)28-11-19(20,21)22/h3-4,9,12,14H,5-8,10-11H2,1-2H3,(H,23,26)/t12-/m0/s1
InChIKeyKDJBVBXKMHVHJB-LBPRGKRZSA-N
MW415.41 g/mol
LogP3.28
Rot. Bonds7

About N-[(2S)-1-[1-[6-(2,2,2-trifluoroethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide

N-[(2S)-1-[1-[6-(2,2,2-trifluoroethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide (PubChem CID 58484027) has the molecular formula C19H24F3N3O4 and a molecular weight of 415.41 g/mol. Its IUPAC name is N-[(2S)-1-[1-[6-(2,2,2-trifluoroethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[1-[6-(2,2,2-trifluoroethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide
PubChem CID58484027
Molecular FormulaC19H24F3N3O4
Molecular Weight415.41 g/mol
Exact Mass415.17
IUPAC NameN-[(2S)-1-[1-[6-(2,2,2-trifluoroethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CCN(c2nc3ccc(OCC(F)(F)F)cc3o2)CC1
InChIInChI=1S/C19H24F3N3O4/c1-12(23-13(2)26)10-27-14-5-7-25(8-6-14)18-24-16-4-3-15(9-17(16)29-18)28-11-19(20,21)22/h3-4,9,12,14H,5-8,10-11H2,1-2H3,(H,23,26)/t12-/m0/s1
InChIKeyKDJBVBXKMHVHJB-LBPRGKRZSA-N
XLogP3.28
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-1-[1-[6-(2,2,2-trifluoroethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[1-[6-(2,2,2-trifluoroethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[1-[6-(2,2,2-trifluoroethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide (CID 58484027) is N-[(2S)-1-[1-[6-(2,2,2-trifluoroethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[1-[6-(2,2,2-trifluoroethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[1-[6-(2,2,2-trifluoroethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide is CC(=O)N[C@@H](C)COC1CCN(c2nc3ccc(OCC(F)(F)F)cc3o2)CC1.
What is the InChIKey of N-[(2S)-1-[1-[6-(2,2,2-trifluoroethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide?
The InChIKey is KDJBVBXKMHVHJB-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H24F3N3O4/c1-12(23-13(2)26)10-27-14-5-7-25(8-6-14)18-24-16-4-3-15(9-17(16)29-18)28-11-19(20,21)22/h3-4,9,12,14H,5-8,10-11H2,1-2H3,(H,23,26)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-[1-[6-(2,2,2-trifluoroethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide?
N-[(2S)-1-[1-[6-(2,2,2-trifluoroethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide has a molecular weight of 415.41 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[1-[6-(2,2,2-trifluoroethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 58484027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).