2-(2-methyldecan-2-yl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole

C15H26F3NO — CID 19825932

IUPAC2-(2-methyldecan-2-yl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCC(C)(C)C1=NC(C(F)(F)F)CO1
InChIInChI=1S/C15H26F3NO/c1-4-5-6-7-8-9-10-14(2,3)13-19-12(11-20-13)15(16,17)18/h12H,4-11H2,1-3H3
InChIKeyVHLUKQFEEWWRNJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP5.12
Rot. Bonds8

About 2-(2-methyldecan-2-yl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole

2-(2-methyldecan-2-yl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 19825932) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(2-methyldecan-2-yl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2-methyldecan-2-yl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole
PubChem CID19825932
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC Name2-(2-methyldecan-2-yl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCC(C)(C)C1=NC(C(F)(F)F)CO1
InChIInChI=1S/C15H26F3NO/c1-4-5-6-7-8-9-10-14(2,3)13-19-12(11-20-13)15(16,17)18/h12H,4-11H2,1-3H3
InChIKeyVHLUKQFEEWWRNJ-UHFFFAOYSA-N
XLogP5.12
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.37
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(2-methyldecan-2-yl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2-methyldecan-2-yl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole (CID 19825932) is 2-(2-methyldecan-2-yl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2-methyldecan-2-yl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2-methyldecan-2-yl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole is CCCCCCCCC(C)(C)C1=NC(C(F)(F)F)CO1.
What is the InChIKey of 2-(2-methyldecan-2-yl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is VHLUKQFEEWWRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-4-5-6-7-8-9-10-14(2,3)13-19-12(11-20-13)15(16,17)18/h12H,4-11H2,1-3H3.
What are the key properties of 2-(2-methyldecan-2-yl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole?
2-(2-methyldecan-2-yl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 293.37 g/mol, XLogP of 5.12, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyldecan-2-yl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 19825932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).