(E)-N-methoxy-2-[1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrazol-4-yl]ethanimine

C16H14F3N5O2 — CID 155179224

IUPAC(E)-N-methoxy-2-[1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrazol-4-yl]ethanimine
SMILESCO/N=C/Cc1cnn(Cc2ccc(-c3noc(C(F)(F)F)n3)cc2)c1
InChIInChI=1S/C16H14F3N5O2/c1-25-21-7-6-12-8-20-24(10-12)9-11-2-4-13(5-3-11)14-22-15(26-23-14)16(17,18)19/h2-5,7-8,10H,6,9H2,1H3/b21-7+
InChIKeyABWMXZHJPOJQHN-QPSGOUHRSA-N
MW365.32 g/mol
LogP3.17
Rot. Bonds6

About (E)-N-methoxy-2-[1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrazol-4-yl]ethanimine

(E)-N-methoxy-2-[1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrazol-4-yl]ethanimine (PubChem CID 155179224) has the molecular formula C16H14F3N5O2 and a molecular weight of 365.32 g/mol. Its IUPAC name is (E)-N-methoxy-2-[1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrazol-4-yl]ethanimine.

Molecular Properties

Compound Name(E)-N-methoxy-2-[1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrazol-4-yl]ethanimine
PubChem CID155179224
Molecular FormulaC16H14F3N5O2
Molecular Weight365.32 g/mol
Exact Mass365.11
IUPAC Name(E)-N-methoxy-2-[1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrazol-4-yl]ethanimine
SMILESCO/N=C/Cc1cnn(Cc2ccc(-c3noc(C(F)(F)F)n3)cc2)c1
InChIInChI=1S/C16H14F3N5O2/c1-25-21-7-6-12-8-20-24(10-12)9-11-2-4-13(5-3-11)14-22-15(26-23-14)16(17,18)19/h2-5,7-8,10H,6,9H2,1H3/b21-7+
InChIKeyABWMXZHJPOJQHN-QPSGOUHRSA-N
XLogP3.17
TPSA78.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139532637
1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrazole-4-carboxylic acid
CID 137371847
N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanimine
CID 160536624
4-oxo-4-[1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrazol-4-yl]butanenitrile
CID 157434287
1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2,4-triazol-3-amine
CID 162746240
3-[4-[[4-(1-ethyl-5-methylpyrazol-4-yl)triazol-1-yl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139532599
ethyl 1-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrazole-4-carboxylate
CID 164540086
3-[4-[(1-methoxypiperidin-4-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139328910
3-[4-[[5-(methoxymethyl)imidazol-1-yl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 137414258
N,N-dimethyl-2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrazole-3-carboxamide
CID 137412737
3-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 166793542
propyl 1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]imidazole-4-carboxylate
CID 137407862

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-2-[1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrazol-4-yl]ethanimine?
The IUPAC name of (E)-N-methoxy-2-[1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrazol-4-yl]ethanimine (CID 155179224) is (E)-N-methoxy-2-[1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrazol-4-yl]ethanimine.
What is the SMILES notation for (E)-N-methoxy-2-[1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrazol-4-yl]ethanimine?
The canonical SMILES for (E)-N-methoxy-2-[1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrazol-4-yl]ethanimine is CO/N=C/Cc1cnn(Cc2ccc(-c3noc(C(F)(F)F)n3)cc2)c1.
What is the InChIKey of (E)-N-methoxy-2-[1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrazol-4-yl]ethanimine?
The InChIKey is ABWMXZHJPOJQHN-QPSGOUHRSA-N. The full InChI is InChI=1S/C16H14F3N5O2/c1-25-21-7-6-12-8-20-24(10-12)9-11-2-4-13(5-3-11)14-22-15(26-23-14)16(17,18)19/h2-5,7-8,10H,6,9H2,1H3/b21-7+.
What are the key properties of (E)-N-methoxy-2-[1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrazol-4-yl]ethanimine?
(E)-N-methoxy-2-[1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrazol-4-yl]ethanimine has a molecular weight of 365.32 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-2-[1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrazol-4-yl]ethanimine is sourced from PubChem (CID 155179224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).