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

C13H15F3N2O — CID 170920690

IUPAC4-butan-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESCCC(C)C1COC(c2ccc(C(F)(F)F)cn2)=N1
InChIInChI=1S/C13H15F3N2O/c1-3-8(2)11-7-19-12(18-11)10-5-4-9(6-17-10)13(14,15)16/h4-6,8,11H,3,7H2,1-2H3
InChIKeyKOJFYKVEAZOWOR-UHFFFAOYSA-N
MW272.27 g/mol
LogP3.29
Rot. Bonds3

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

4-butan-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole (PubChem CID 170920690) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 4-butan-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-butan-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
PubChem CID170920690
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name4-butan-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESCCC(C)C1COC(c2ccc(C(F)(F)F)cn2)=N1
InChIInChI=1S/C13H15F3N2O/c1-3-8(2)11-7-19-12(18-11)10-5-4-9(6-17-10)13(14,15)16/h4-6,8,11H,3,7H2,1-2H3
InChIKeyKOJFYKVEAZOWOR-UHFFFAOYSA-N
XLogP3.29
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-butan-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole (CID 170920690) is 4-butan-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-butan-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-butan-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole is CCC(C)C1COC(c2ccc(C(F)(F)F)cn2)=N1.
What is the InChIKey of 4-butan-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is KOJFYKVEAZOWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-3-8(2)11-7-19-12(18-11)10-5-4-9(6-17-10)13(14,15)16/h4-6,8,11H,3,7H2,1-2H3.
What are the key properties of 4-butan-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
4-butan-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 272.27 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 170920690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).