5-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one

C14H14F3N3O3 — CID 137462660

IUPAC5-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESO=C1NN=C(c2ccc(N3CCOCC3)c(C(F)(F)F)c2)CO1
InChIInChI=1S/C14H14F3N3O3/c15-14(16,17)10-7-9(11-8-23-13(21)19-18-11)1-2-12(10)20-3-5-22-6-4-20/h1-2,7H,3-6,8H2,(H,19,21)
InChIKeyMVZPGGZBDKSDEM-UHFFFAOYSA-N
MW329.28 g/mol
LogP1.99
Rot. Bonds2

About 5-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one

5-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one (PubChem CID 137462660) has the molecular formula C14H14F3N3O3 and a molecular weight of 329.28 g/mol. Its IUPAC name is 5-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one.

Molecular Properties

Compound Name5-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
PubChem CID137462660
Molecular FormulaC14H14F3N3O3
Molecular Weight329.28 g/mol
Exact Mass329.10
IUPAC Name5-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESO=C1NN=C(c2ccc(N3CCOCC3)c(C(F)(F)F)c2)CO1
InChIInChI=1S/C14H14F3N3O3/c15-14(16,17)10-7-9(11-8-23-13(21)19-18-11)1-2-12(10)20-3-5-22-6-4-20/h1-2,7H,3-6,8H2,(H,19,21)
InChIKeyMVZPGGZBDKSDEM-UHFFFAOYSA-N
XLogP1.99
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one with MolForge

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Related Compounds

3-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
CID 44234821
US11427553, Example 210
CID 137462649
US11427553, Example 221
CID 137462650
US11427553, Example 225
CID 137462654
US11427553, Example 248
CID 137462672
US11427553, Example 223
CID 137462689
US11427553, Example 204
CID 137462705
US11427553, Example 4
CID 137462706
US11427553, Example 242
CID 137462712
US11427553, Example 21
CID 137462715
US11427553, Example 239
CID 137462727
US11427553, Example 258
CID 137462728

Frequently Asked Questions

What is the IUPAC name of 5-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The IUPAC name of 5-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one (CID 137462660) is 5-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one.
What is the SMILES notation for 5-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The canonical SMILES for 5-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one is O=C1NN=C(c2ccc(N3CCOCC3)c(C(F)(F)F)c2)CO1.
What is the InChIKey of 5-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The InChIKey is MVZPGGZBDKSDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O3/c15-14(16,17)10-7-9(11-8-23-13(21)19-18-11)1-2-12(10)20-3-5-22-6-4-20/h1-2,7H,3-6,8H2,(H,19,21).
What are the key properties of 5-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
5-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one has a molecular weight of 329.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one is sourced from PubChem (CID 137462660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).