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

C10H11F3N4O2 — CID 59173129

IUPAC(4S)-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](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)/t6-/m0/s1
InChIKeyCHSFOLJTYNCMDK-LURJTMIESA-N
MW276.22 g/mol
LogP0.98
Rot. Bonds4

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

(4S)-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyethyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59173129) has the molecular formula C10H11F3N4O2 and a molecular weight of 276.22 g/mol. Its IUPAC name is (4S)-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyethyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyethyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59173129
Molecular FormulaC10H11F3N4O2
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC Name(4S)-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](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)/t6-/m0/s1
InChIKeyCHSFOLJTYNCMDK-LURJTMIESA-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 (4S)-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyethyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 59173129) is (4S)-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyethyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyethyl]-4,5-dihydro-1,3-oxazol-2-amine is NC1=N[C@@H](CCOc2nccc(C(F)(F)F)n2)CO1.
What is the InChIKey of (4S)-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is CHSFOLJTYNCMDK-LURJTMIESA-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)/t6-/m0/s1.
What are the key properties of (4S)-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyethyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-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 (4S)-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyethyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59173129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).