(4R)-4-propan-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole

C12H13F3N2O — CID 134159315

IUPAC(4R)-4-propan-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@@H]1COC(c2ccc(C(F)(F)F)cn2)=N1
InChIInChI=1S/C12H13F3N2O/c1-7(2)10-6-18-11(17-10)9-4-3-8(5-16-9)12(13,14)15/h3-5,7,10H,6H2,1-2H3/t10-/m0/s1
InChIKeyILENSZIBAAQNCZ-JTQLQIEISA-N
MW258.24 g/mol
LogP2.90
Rot. Bonds2

About (4R)-4-propan-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole

(4R)-4-propan-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole (PubChem CID 134159315) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is (4R)-4-propan-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-propan-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
PubChem CID134159315
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name(4R)-4-propan-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@@H]1COC(c2ccc(C(F)(F)F)cn2)=N1
InChIInChI=1S/C12H13F3N2O/c1-7(2)10-6-18-11(17-10)9-4-3-8(5-16-9)12(13,14)15/h3-5,7,10H,6H2,1-2H3/t10-/m0/s1
InChIKeyILENSZIBAAQNCZ-JTQLQIEISA-N
XLogP2.90
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-propan-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-propan-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole (CID 134159315) is (4R)-4-propan-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-propan-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-propan-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole is CC(C)[C@@H]1COC(c2ccc(C(F)(F)F)cn2)=N1.
What is the InChIKey of (4R)-4-propan-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is ILENSZIBAAQNCZ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13F3N2O/c1-7(2)10-6-18-11(17-10)9-4-3-8(5-16-9)12(13,14)15/h3-5,7,10H,6H2,1-2H3/t10-/m0/s1.
What are the key properties of (4R)-4-propan-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
(4R)-4-propan-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 258.24 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-propan-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 134159315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).