3-(1H-imidazol-5-yl)-5-(10,10,10-trifluorodecyl)-1,2-oxazole

C16H22F3N3O — CID 151640679

IUPAC3-(1H-imidazol-5-yl)-5-(10,10,10-trifluorodecyl)-1,2-oxazole
SMILESFC(F)(F)CCCCCCCCCc1cc(-c2cnc[nH]2)no1
InChIInChI=1S/C16H22F3N3O/c17-16(18,19)9-7-5-3-1-2-4-6-8-13-10-14(22-23-13)15-11-20-12-21-15/h10-12H,1-9H2,(H,20,21)
InChIKeyQSLOBWJZLKMUER-UHFFFAOYSA-N
MW329.37 g/mol
LogP5.29
Rot. Bonds10

About 3-(1H-imidazol-5-yl)-5-(10,10,10-trifluorodecyl)-1,2-oxazole

3-(1H-imidazol-5-yl)-5-(10,10,10-trifluorodecyl)-1,2-oxazole (PubChem CID 151640679) has the molecular formula C16H22F3N3O and a molecular weight of 329.37 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-5-(10,10,10-trifluorodecyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-5-(10,10,10-trifluorodecyl)-1,2-oxazole
PubChem CID151640679
Molecular FormulaC16H22F3N3O
Molecular Weight329.37 g/mol
Exact Mass329.17
IUPAC Name3-(1H-imidazol-5-yl)-5-(10,10,10-trifluorodecyl)-1,2-oxazole
SMILESFC(F)(F)CCCCCCCCCc1cc(-c2cnc[nH]2)no1
InChIInChI=1S/C16H22F3N3O/c17-16(18,19)9-7-5-3-1-2-4-6-8-13-10-14(22-23-13)15-11-20-12-21-15/h10-12H,1-9H2,(H,20,21)
InChIKeyQSLOBWJZLKMUER-UHFFFAOYSA-N
XLogP5.29
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.37
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(1H-imidazol-5-yl)-5-(10,10,10-trifluorodecyl)-1,2-oxazole?
The IUPAC name of 3-(1H-imidazol-5-yl)-5-(10,10,10-trifluorodecyl)-1,2-oxazole (CID 151640679) is 3-(1H-imidazol-5-yl)-5-(10,10,10-trifluorodecyl)-1,2-oxazole.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-5-(10,10,10-trifluorodecyl)-1,2-oxazole?
The canonical SMILES for 3-(1H-imidazol-5-yl)-5-(10,10,10-trifluorodecyl)-1,2-oxazole is FC(F)(F)CCCCCCCCCc1cc(-c2cnc[nH]2)no1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-5-(10,10,10-trifluorodecyl)-1,2-oxazole?
The InChIKey is QSLOBWJZLKMUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O/c17-16(18,19)9-7-5-3-1-2-4-6-8-13-10-14(22-23-13)15-11-20-12-21-15/h10-12H,1-9H2,(H,20,21).
What are the key properties of 3-(1H-imidazol-5-yl)-5-(10,10,10-trifluorodecyl)-1,2-oxazole?
3-(1H-imidazol-5-yl)-5-(10,10,10-trifluorodecyl)-1,2-oxazole has a molecular weight of 329.37 g/mol, XLogP of 5.29, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-5-(10,10,10-trifluorodecyl)-1,2-oxazole is sourced from PubChem (CID 151640679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).