4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyethyl]-4,5-dihydro-1,3-oxazol-2-amine

C10H11F3N4O2 — CID 67177712

IUPAC4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(CCOc2nccc(C(F)(F)F)n2)CO1
InChIInChI=1S/C10H11F3N4O2/c11-10(12,13)7-1-3-15-9(17-7)18-4-2-6-5-19-8(14)16-6/h1,3,6H,2,4-5H2,(H2,14,16)
InChIKeyCHSFOLJTYNCMDK-UHFFFAOYSA-N
MW276.22 g/mol
LogP0.98
Rot. Bonds4

About 4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyethyl]-4,5-dihydro-1,3-oxazol-2-amine

4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyethyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 67177712) has the molecular formula C10H11F3N4O2 and a molecular weight of 276.22 g/mol. Its IUPAC name is 4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyethyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyethyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID67177712
Molecular FormulaC10H11F3N4O2
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC Name4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(CCOc2nccc(C(F)(F)F)n2)CO1
InChIInChI=1S/C10H11F3N4O2/c11-10(12,13)7-1-3-15-9(17-7)18-4-2-6-5-19-8(14)16-6/h1,3,6H,2,4-5H2,(H2,14,16)
InChIKeyCHSFOLJTYNCMDK-UHFFFAOYSA-N
XLogP0.98
TPSA82.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyethyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 67177712) is 4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyethyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyethyl]-4,5-dihydro-1,3-oxazol-2-amine is NC1=NC(CCOc2nccc(C(F)(F)F)n2)CO1.
What is the InChIKey of 4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is CHSFOLJTYNCMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2/c11-10(12,13)7-1-3-15-9(17-7)18-4-2-6-5-19-8(14)16-6/h1,3,6H,2,4-5H2,(H2,14,16).
What are the key properties of 4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyethyl]-4,5-dihydro-1,3-oxazol-2-amine?
4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyethyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 276.22 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyethyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 67177712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).