(4R)-2-butyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole

C14H16F3NO — CID 143728742

IUPAC(4R)-2-butyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESCCCCC1=N[C@H](c2ccccc2C(F)(F)F)CO1
InChIInChI=1S/C14H16F3NO/c1-2-3-8-13-18-12(9-19-13)10-6-4-5-7-11(10)14(15,16)17/h4-7,12H,2-3,8-9H2,1H3/t12-/m0/s1
InChIKeyHDWAWXPESVMDJQ-LBPRGKRZSA-N
MW271.28 g/mol
LogP4.37
Rot. Bonds4

About (4R)-2-butyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole

(4R)-2-butyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 143728742) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is (4R)-2-butyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-2-butyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID143728742
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name(4R)-2-butyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESCCCCC1=N[C@H](c2ccccc2C(F)(F)F)CO1
InChIInChI=1S/C14H16F3NO/c1-2-3-8-13-18-12(9-19-13)10-6-4-5-7-11(10)14(15,16)17/h4-7,12H,2-3,8-9H2,1H3/t12-/m0/s1
InChIKeyHDWAWXPESVMDJQ-LBPRGKRZSA-N
XLogP4.37
TPSA21.59 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 ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-butyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-2-butyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole (CID 143728742) is (4R)-2-butyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-2-butyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-2-butyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole is CCCCC1=N[C@H](c2ccccc2C(F)(F)F)CO1.
What is the InChIKey of (4R)-2-butyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is HDWAWXPESVMDJQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-2-3-8-13-18-12(9-19-13)10-6-4-5-7-11(10)14(15,16)17/h4-7,12H,2-3,8-9H2,1H3/t12-/m0/s1.
What are the key properties of (4R)-2-butyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
(4R)-2-butyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 271.28 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-butyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 143728742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).