5-propan-2-yl-2-(3,3,3-trifluoropropoxy)-1,3-oxazole-4-carbonitrile

C10H11F3N2O2 — CID 169162932

IUPAC5-propan-2-yl-2-(3,3,3-trifluoropropoxy)-1,3-oxazole-4-carbonitrile
SMILESCC(C)c1oc(OCCC(F)(F)F)nc1C#N
InChIInChI=1S/C10H11F3N2O2/c1-6(2)8-7(5-14)15-9(17-8)16-4-3-10(11,12)13/h6H,3-4H2,1-2H3
InChIKeyDAKSQZLEPIWKCV-UHFFFAOYSA-N
MW248.20 g/mol
LogP3.00
Rot. Bonds4

About 5-propan-2-yl-2-(3,3,3-trifluoropropoxy)-1,3-oxazole-4-carbonitrile

5-propan-2-yl-2-(3,3,3-trifluoropropoxy)-1,3-oxazole-4-carbonitrile (PubChem CID 169162932) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 5-propan-2-yl-2-(3,3,3-trifluoropropoxy)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-propan-2-yl-2-(3,3,3-trifluoropropoxy)-1,3-oxazole-4-carbonitrile
PubChem CID169162932
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name5-propan-2-yl-2-(3,3,3-trifluoropropoxy)-1,3-oxazole-4-carbonitrile
SMILESCC(C)c1oc(OCCC(F)(F)F)nc1C#N
InChIInChI=1S/C10H11F3N2O2/c1-6(2)8-7(5-14)15-9(17-8)16-4-3-10(11,12)13/h6H,3-4H2,1-2H3
InChIKeyDAKSQZLEPIWKCV-UHFFFAOYSA-N
XLogP3.00
TPSA59.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-(3,3,3-trifluoropropoxy)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-propan-2-yl-2-(3,3,3-trifluoropropoxy)-1,3-oxazole-4-carbonitrile (CID 169162932) is 5-propan-2-yl-2-(3,3,3-trifluoropropoxy)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-propan-2-yl-2-(3,3,3-trifluoropropoxy)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-propan-2-yl-2-(3,3,3-trifluoropropoxy)-1,3-oxazole-4-carbonitrile is CC(C)c1oc(OCCC(F)(F)F)nc1C#N.
What is the InChIKey of 5-propan-2-yl-2-(3,3,3-trifluoropropoxy)-1,3-oxazole-4-carbonitrile?
The InChIKey is DAKSQZLEPIWKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-6(2)8-7(5-14)15-9(17-8)16-4-3-10(11,12)13/h6H,3-4H2,1-2H3.
What are the key properties of 5-propan-2-yl-2-(3,3,3-trifluoropropoxy)-1,3-oxazole-4-carbonitrile?
5-propan-2-yl-2-(3,3,3-trifluoropropoxy)-1,3-oxazole-4-carbonitrile has a molecular weight of 248.20 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-(3,3,3-trifluoropropoxy)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 169162932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).