2-benzyl-3-propyl-5-(trifluoromethyl)-3H-1,2-oxazole

C14H16F3NO — CID 102287811

IUPAC2-benzyl-3-propyl-5-(trifluoromethyl)-3H-1,2-oxazole
SMILESCCCC1C=C(C(F)(F)F)ON1Cc1ccccc1
InChIInChI=1S/C14H16F3NO/c1-2-6-12-9-13(14(15,16)17)19-18(12)10-11-7-4-3-5-8-11/h3-5,7-9,12H,2,6,10H2,1H3
InChIKeyVBUZLXYIQZJUMD-UHFFFAOYSA-N
MW271.28 g/mol
LogP4.05
Rot. Bonds4

About 2-benzyl-3-propyl-5-(trifluoromethyl)-3H-1,2-oxazole

2-benzyl-3-propyl-5-(trifluoromethyl)-3H-1,2-oxazole (PubChem CID 102287811) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-benzyl-3-propyl-5-(trifluoromethyl)-3H-1,2-oxazole.

Molecular Properties

Compound Name2-benzyl-3-propyl-5-(trifluoromethyl)-3H-1,2-oxazole
PubChem CID102287811
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name2-benzyl-3-propyl-5-(trifluoromethyl)-3H-1,2-oxazole
SMILESCCCC1C=C(C(F)(F)F)ON1Cc1ccccc1
InChIInChI=1S/C14H16F3NO/c1-2-6-12-9-13(14(15,16)17)19-18(12)10-11-7-4-3-5-8-11/h3-5,7-9,12H,2,6,10H2,1H3
InChIKeyVBUZLXYIQZJUMD-UHFFFAOYSA-N
XLogP4.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-propyl-5-(trifluoromethyl)-3H-1,2-oxazole?
The IUPAC name of 2-benzyl-3-propyl-5-(trifluoromethyl)-3H-1,2-oxazole (CID 102287811) is 2-benzyl-3-propyl-5-(trifluoromethyl)-3H-1,2-oxazole.
What is the SMILES notation for 2-benzyl-3-propyl-5-(trifluoromethyl)-3H-1,2-oxazole?
The canonical SMILES for 2-benzyl-3-propyl-5-(trifluoromethyl)-3H-1,2-oxazole is CCCC1C=C(C(F)(F)F)ON1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-propyl-5-(trifluoromethyl)-3H-1,2-oxazole?
The InChIKey is VBUZLXYIQZJUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-2-6-12-9-13(14(15,16)17)19-18(12)10-11-7-4-3-5-8-11/h3-5,7-9,12H,2,6,10H2,1H3.
What are the key properties of 2-benzyl-3-propyl-5-(trifluoromethyl)-3H-1,2-oxazole?
2-benzyl-3-propyl-5-(trifluoromethyl)-3H-1,2-oxazole has a molecular weight of 271.28 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-propyl-5-(trifluoromethyl)-3H-1,2-oxazole is sourced from PubChem (CID 102287811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).