7,7,7-trifluoro-N-[3-[2-(2-methoxyethoxy)propan-2-yl]-1,2-oxazol-5-yl]-2,2-dimethylheptanamide

C18H29F3N2O4 — CID 58297243

IUPAC7,7,7-trifluoro-N-[3-[2-(2-methoxyethoxy)propan-2-yl]-1,2-oxazol-5-yl]-2,2-dimethylheptanamide
SMILESCOCCOC(C)(C)c1cc(NC(=O)C(C)(C)CCCCC(F)(F)F)on1
InChIInChI=1S/C18H29F3N2O4/c1-16(2,8-6-7-9-18(19,20)21)15(24)22-14-12-13(23-27-14)17(3,4)26-11-10-25-5/h12H,6-11H2,1-5H3,(H,22,24)
InChIKeyILPDVJXBPOVZFQ-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.66
Rot. Bonds11

About 7,7,7-trifluoro-N-[3-[2-(2-methoxyethoxy)propan-2-yl]-1,2-oxazol-5-yl]-2,2-dimethylheptanamide

7,7,7-trifluoro-N-[3-[2-(2-methoxyethoxy)propan-2-yl]-1,2-oxazol-5-yl]-2,2-dimethylheptanamide (PubChem CID 58297243) has the molecular formula C18H29F3N2O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 7,7,7-trifluoro-N-[3-[2-(2-methoxyethoxy)propan-2-yl]-1,2-oxazol-5-yl]-2,2-dimethylheptanamide.

Molecular Properties

Compound Name7,7,7-trifluoro-N-[3-[2-(2-methoxyethoxy)propan-2-yl]-1,2-oxazol-5-yl]-2,2-dimethylheptanamide
PubChem CID58297243
Molecular FormulaC18H29F3N2O4
Molecular Weight394.43 g/mol
Exact Mass394.21
IUPAC Name7,7,7-trifluoro-N-[3-[2-(2-methoxyethoxy)propan-2-yl]-1,2-oxazol-5-yl]-2,2-dimethylheptanamide
SMILESCOCCOC(C)(C)c1cc(NC(=O)C(C)(C)CCCCC(F)(F)F)on1
InChIInChI=1S/C18H29F3N2O4/c1-16(2,8-6-7-9-18(19,20)21)15(24)22-14-12-13(23-27-14)17(3,4)26-11-10-25-5/h12H,6-11H2,1-5H3,(H,22,24)
InChIKeyILPDVJXBPOVZFQ-UHFFFAOYSA-N
XLogP4.66
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-N-[3-[2-(2-methoxyethoxy)propan-2-yl]-1,2-oxazol-5-yl]-2,2-dimethylheptanamide?
The IUPAC name of 7,7,7-trifluoro-N-[3-[2-(2-methoxyethoxy)propan-2-yl]-1,2-oxazol-5-yl]-2,2-dimethylheptanamide (CID 58297243) is 7,7,7-trifluoro-N-[3-[2-(2-methoxyethoxy)propan-2-yl]-1,2-oxazol-5-yl]-2,2-dimethylheptanamide.
What is the SMILES notation for 7,7,7-trifluoro-N-[3-[2-(2-methoxyethoxy)propan-2-yl]-1,2-oxazol-5-yl]-2,2-dimethylheptanamide?
The canonical SMILES for 7,7,7-trifluoro-N-[3-[2-(2-methoxyethoxy)propan-2-yl]-1,2-oxazol-5-yl]-2,2-dimethylheptanamide is COCCOC(C)(C)c1cc(NC(=O)C(C)(C)CCCCC(F)(F)F)on1.
What is the InChIKey of 7,7,7-trifluoro-N-[3-[2-(2-methoxyethoxy)propan-2-yl]-1,2-oxazol-5-yl]-2,2-dimethylheptanamide?
The InChIKey is ILPDVJXBPOVZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29F3N2O4/c1-16(2,8-6-7-9-18(19,20)21)15(24)22-14-12-13(23-27-14)17(3,4)26-11-10-25-5/h12H,6-11H2,1-5H3,(H,22,24).
What are the key properties of 7,7,7-trifluoro-N-[3-[2-(2-methoxyethoxy)propan-2-yl]-1,2-oxazol-5-yl]-2,2-dimethylheptanamide?
7,7,7-trifluoro-N-[3-[2-(2-methoxyethoxy)propan-2-yl]-1,2-oxazol-5-yl]-2,2-dimethylheptanamide has a molecular weight of 394.43 g/mol, XLogP of 4.66, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-N-[3-[2-(2-methoxyethoxy)propan-2-yl]-1,2-oxazol-5-yl]-2,2-dimethylheptanamide is sourced from PubChem (CID 58297243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).