2,2,2-trifluoro-N-[(1S)-2-methyl-1-[3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-5-yl]propyl]acetamide

C12H16F3N3O3 — CID 124726784

IUPAC2,2,2-trifluoro-N-[(1S)-2-methyl-1-[3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-5-yl]propyl]acetamide
SMILESCC(C)[C@H](NC(=O)C(F)(F)F)c1nc([C@@H]2CCCO2)no1
InChIInChI=1S/C12H16F3N3O3/c1-6(2)8(16-11(19)12(13,14)15)10-17-9(18-21-10)7-4-3-5-20-7/h6-8H,3-5H2,1-2H3,(H,16,19)/t7-,8-/m0/s1
InChIKeyCJOJRVSOVZNPKQ-YUMQZZPRSA-N
MW307.27 g/mol
LogP2.30
Rot. Bonds4

About 2,2,2-trifluoro-N-[(1S)-2-methyl-1-[3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-5-yl]propyl]acetamide

2,2,2-trifluoro-N-[(1S)-2-methyl-1-[3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-5-yl]propyl]acetamide (PubChem CID 124726784) has the molecular formula C12H16F3N3O3 and a molecular weight of 307.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1S)-2-methyl-1-[3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-5-yl]propyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1S)-2-methyl-1-[3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-5-yl]propyl]acetamide
PubChem CID124726784
Molecular FormulaC12H16F3N3O3
Molecular Weight307.27 g/mol
Exact Mass307.11
IUPAC Name2,2,2-trifluoro-N-[(1S)-2-methyl-1-[3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-5-yl]propyl]acetamide
SMILESCC(C)[C@H](NC(=O)C(F)(F)F)c1nc([C@@H]2CCCO2)no1
InChIInChI=1S/C12H16F3N3O3/c1-6(2)8(16-11(19)12(13,14)15)10-17-9(18-21-10)7-4-3-5-20-7/h6-8H,3-5H2,1-2H3,(H,16,19)/t7-,8-/m0/s1
InChIKeyCJOJRVSOVZNPKQ-YUMQZZPRSA-N
XLogP2.30
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1S)-2-methyl-1-[3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-5-yl]propyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1S)-2-methyl-1-[3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-5-yl]propyl]acetamide (CID 124726784) is 2,2,2-trifluoro-N-[(1S)-2-methyl-1-[3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-5-yl]propyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1S)-2-methyl-1-[3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-5-yl]propyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1S)-2-methyl-1-[3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-5-yl]propyl]acetamide is CC(C)[C@H](NC(=O)C(F)(F)F)c1nc([C@@H]2CCCO2)no1.
What is the InChIKey of 2,2,2-trifluoro-N-[(1S)-2-methyl-1-[3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-5-yl]propyl]acetamide?
The InChIKey is CJOJRVSOVZNPKQ-YUMQZZPRSA-N. The full InChI is InChI=1S/C12H16F3N3O3/c1-6(2)8(16-11(19)12(13,14)15)10-17-9(18-21-10)7-4-3-5-20-7/h6-8H,3-5H2,1-2H3,(H,16,19)/t7-,8-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1S)-2-methyl-1-[3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-5-yl]propyl]acetamide?
2,2,2-trifluoro-N-[(1S)-2-methyl-1-[3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-5-yl]propyl]acetamide has a molecular weight of 307.27 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1S)-2-methyl-1-[3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-5-yl]propyl]acetamide is sourced from PubChem (CID 124726784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).