(4S)-4-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole

C10H9F3N2O — CID 154725601

IUPAC(4S)-4-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESC[C@H]1COC(c2ccc(C(F)(F)F)cn2)=N1
InChIInChI=1S/C10H9F3N2O/c1-6-5-16-9(15-6)8-3-2-7(4-14-8)10(11,12)13/h2-4,6H,5H2,1H3/t6-/m0/s1
InChIKeyUITFYNBEZIIWCV-LURJTMIESA-N
MW230.19 g/mol
LogP2.27
Rot. Bonds1

About (4S)-4-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole

(4S)-4-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole (PubChem CID 154725601) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is (4S)-4-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
PubChem CID154725601
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name(4S)-4-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESC[C@H]1COC(c2ccc(C(F)(F)F)cn2)=N1
InChIInChI=1S/C10H9F3N2O/c1-6-5-16-9(15-6)8-3-2-7(4-14-8)10(11,12)13/h2-4,6H,5H2,1H3/t6-/m0/s1
InChIKeyUITFYNBEZIIWCV-LURJTMIESA-N
XLogP2.27
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole (CID 154725601) is (4S)-4-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole is C[C@H]1COC(c2ccc(C(F)(F)F)cn2)=N1.
What is the InChIKey of (4S)-4-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is UITFYNBEZIIWCV-LURJTMIESA-N. The full InChI is InChI=1S/C10H9F3N2O/c1-6-5-16-9(15-6)8-3-2-7(4-14-8)10(11,12)13/h2-4,6H,5H2,1H3/t6-/m0/s1.
What are the key properties of (4S)-4-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 230.19 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 154725601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).