4-[[3-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine

C15H17F3N2O2 — CID 56999532

IUPAC4-[[3-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine
SMILESFC(F)(F)c1ccc(C2=CC(CN3CCOCC3)ON2)cc1
InChIInChI=1S/C15H17F3N2O2/c16-15(17,18)12-3-1-11(2-4-12)14-9-13(22-19-14)10-20-5-7-21-8-6-20/h1-4,9,13,19H,5-8,10H2
InChIKeyKGQUHPLAQLTGBG-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.28
Rot. Bonds3

About 4-[[3-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine

4-[[3-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine (PubChem CID 56999532) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 4-[[3-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine
PubChem CID56999532
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Name4-[[3-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine
SMILESFC(F)(F)c1ccc(C2=CC(CN3CCOCC3)ON2)cc1
InChIInChI=1S/C15H17F3N2O2/c16-15(17,18)12-3-1-11(2-4-12)14-9-13(22-19-14)10-20-5-7-21-8-6-20/h1-4,9,13,19H,5-8,10H2
InChIKeyKGQUHPLAQLTGBG-UHFFFAOYSA-N
XLogP2.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Aminomethyl-4-(p-trifluoromethylbenzyl)morpholine
CID 18933393
n-(4-Fluorobenzyl)-o-(3-morpholin-4-yl-propyl)-hydroxylamine
CID 21947550
N-[[3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine-4-carbothioamide
CID 57285692
2-[(5S)-3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone
CID 123396334
(E)-1-[4-[[(2E,3Z)-2-ethylidene-3-prop-2-enylidenepyrrol-1-yl]methyl]-3-fluorophenyl]-N-(oxan-4-yloxy)prop-1-en-1-amine
CID 129238658
4-[[3-(3,4-Difluorophenyl)-2,3-dihydro-1,2-oxazol-5-yl]methyl]-2,6-dimethylmorpholine
CID 172326312
4-[1-[4-(Trifluoromethyl)phenyl]ethenyl]morpholine
CID 46218245
(E)-3-morpholin-4-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 49765131
[5-Methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine
CID 81218610
1-[4-[[4-(Trifluoromethyl)phenyl]methyl]morpholin-2-yl]ethanamine
CID 81490365
2-[1-[[4-(Trifluoromethyl)phenyl]methyl]piperidin-4-yl]oxyethanamine
CID 82689141
2,2,2-trifluoro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine
CID 83962854

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine?
The IUPAC name of 4-[[3-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine (CID 56999532) is 4-[[3-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[[3-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[[3-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine is FC(F)(F)c1ccc(C2=CC(CN3CCOCC3)ON2)cc1.
What is the InChIKey of 4-[[3-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine?
The InChIKey is KGQUHPLAQLTGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c16-15(17,18)12-3-1-11(2-4-12)14-9-13(22-19-14)10-20-5-7-21-8-6-20/h1-4,9,13,19H,5-8,10H2.
What are the key properties of 4-[[3-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine?
4-[[3-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine has a molecular weight of 314.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine is sourced from PubChem (CID 56999532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).