(Z)-1-morpholin-4-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methoxy]ethanimine

C16H17F3N4O3 — CID 146253899

IUPAC(Z)-1-morpholin-4-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methoxy]ethanimine
SMILESC/C(=N/OCc1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCOCC1
InChIInChI=1S/C16H17F3N4O3/c1-11(23-6-8-24-9-7-23)21-25-10-12-2-4-13(5-3-12)14-20-15(26-22-14)16(17,18)19/h2-5H,6-10H2,1H3/b21-11-
InChIKeyXAYVKAVMRFRCGF-NHDPSOOVSA-N
MW370.33 g/mol
LogP2.94
Rot. Bonds4

About (Z)-1-morpholin-4-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methoxy]ethanimine

(Z)-1-morpholin-4-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methoxy]ethanimine (PubChem CID 146253899) has the molecular formula C16H17F3N4O3 and a molecular weight of 370.33 g/mol. Its IUPAC name is (Z)-1-morpholin-4-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methoxy]ethanimine.

Molecular Properties

Compound Name(Z)-1-morpholin-4-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methoxy]ethanimine
PubChem CID146253899
Molecular FormulaC16H17F3N4O3
Molecular Weight370.33 g/mol
Exact Mass370.13
IUPAC Name(Z)-1-morpholin-4-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methoxy]ethanimine
SMILESC/C(=N/OCc1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCOCC1
InChIInChI=1S/C16H17F3N4O3/c1-11(23-6-8-24-9-7-23)21-25-10-12-2-4-13(5-3-12)14-20-15(26-22-14)16(17,18)19/h2-5H,6-10H2,1H3/b21-11-
InChIKeyXAYVKAVMRFRCGF-NHDPSOOVSA-N
XLogP2.94
TPSA72.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl] morpholine-4-carboxylate
CID 129295205
N-methyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butan-2-imine
CID 159614709
1-[3-(2,2,2-trifluoroethoxyimino)azetidin-1-yl]-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone
CID 166924969
3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pentane-2,4-dione
CID 137412256
3-[4-[(1-methoxypiperidin-4-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139328910
N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanimine
CID 160536624
1-[3-(ethylsulfanylmethoxyimino)azetidin-1-yl]-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone
CID 166924962
N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethylidene]hydroxylamine
CID 137313932
[1-ethoxy-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethylidene]azanium chloride
CID 142514896
[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl N-propan-2-ylcarbamate
CID 166559367
N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71230676
[3-(2-methoxyethyl)morpholin-4-yl]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 139004777

Frequently Asked Questions

What is the IUPAC name of (Z)-1-morpholin-4-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methoxy]ethanimine?
The IUPAC name of (Z)-1-morpholin-4-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methoxy]ethanimine (CID 146253899) is (Z)-1-morpholin-4-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methoxy]ethanimine.
What is the SMILES notation for (Z)-1-morpholin-4-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methoxy]ethanimine?
The canonical SMILES for (Z)-1-morpholin-4-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methoxy]ethanimine is C/C(=N/OCc1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCOCC1.
What is the InChIKey of (Z)-1-morpholin-4-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methoxy]ethanimine?
The InChIKey is XAYVKAVMRFRCGF-NHDPSOOVSA-N. The full InChI is InChI=1S/C16H17F3N4O3/c1-11(23-6-8-24-9-7-23)21-25-10-12-2-4-13(5-3-12)14-20-15(26-22-14)16(17,18)19/h2-5H,6-10H2,1H3/b21-11-.
What are the key properties of (Z)-1-morpholin-4-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methoxy]ethanimine?
(Z)-1-morpholin-4-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methoxy]ethanimine has a molecular weight of 370.33 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-morpholin-4-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methoxy]ethanimine is sourced from PubChem (CID 146253899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).