5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide

C14H20F6N2O4 — CID 11545653

IUPAC5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCC(C)(C)OCCCNC(=O)C1=NOC(C(O)(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C14H20F6N2O4/c1-11(2,3)25-6-4-5-21-10(23)8-7-9(26-22-8)12(24,13(15,16)17)14(18,19)20/h9,24H,4-7H2,1-3H3,(H,21,23)
InChIKeyGOGPBPSRUPJVIT-UHFFFAOYSA-N
MW394.31 g/mol
LogP2.31
Rot. Bonds6

About 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide

5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 11545653) has the molecular formula C14H20F6N2O4 and a molecular weight of 394.31 g/mol. Its IUPAC name is 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID11545653
Molecular FormulaC14H20F6N2O4
Molecular Weight394.31 g/mol
Exact Mass394.13
IUPAC Name5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCC(C)(C)OCCCNC(=O)C1=NOC(C(O)(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C14H20F6N2O4/c1-11(2,3)25-6-4-5-21-10(23)8-7-9(26-22-8)12(24,13(15,16)17)14(18,19)20/h9,24H,4-7H2,1-3H3,(H,21,23)
InChIKeyGOGPBPSRUPJVIT-UHFFFAOYSA-N
XLogP2.31
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 11545653) is 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide is CC(C)(C)OCCCNC(=O)C1=NOC(C(O)(C(F)(F)F)C(F)(F)F)C1.
What is the InChIKey of 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is GOGPBPSRUPJVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F6N2O4/c1-11(2,3)25-6-4-5-21-10(23)8-7-9(26-22-8)12(24,13(15,16)17)14(18,19)20/h9,24H,4-7H2,1-3H3,(H,21,23).
What are the key properties of 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide?
5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 394.31 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 11545653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).