5-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propoxy]pyrazine-2-carbonitrile

C19H16F3N5O3 — CID 90449135

IUPAC5-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propoxy]pyrazine-2-carbonitrile
SMILESCc1cc(-c2noc(C(F)(F)F)n2)cc(C)c1OCCCOc1cnc(C#N)cn1
InChIInChI=1S/C19H16F3N5O3/c1-11-6-13(17-26-18(30-27-17)19(20,21)22)7-12(2)16(11)29-5-3-4-28-15-10-24-14(8-23)9-25-15/h6-7,9-10H,3-5H2,1-2H3
InChIKeyOGNBLKDVGFKKAG-UHFFFAOYSA-N
MW419.36 g/mol
LogP3.88
Rot. Bonds7

About 5-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propoxy]pyrazine-2-carbonitrile

5-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propoxy]pyrazine-2-carbonitrile (PubChem CID 90449135) has the molecular formula C19H16F3N5O3 and a molecular weight of 419.36 g/mol. Its IUPAC name is 5-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propoxy]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propoxy]pyrazine-2-carbonitrile
PubChem CID90449135
Molecular FormulaC19H16F3N5O3
Molecular Weight419.36 g/mol
Exact Mass419.12
IUPAC Name5-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propoxy]pyrazine-2-carbonitrile
SMILESCc1cc(-c2noc(C(F)(F)F)n2)cc(C)c1OCCCOc1cnc(C#N)cn1
InChIInChI=1S/C19H16F3N5O3/c1-11-6-13(17-26-18(30-27-17)19(20,21)22)7-12(2)16(11)29-5-3-4-28-15-10-24-14(8-23)9-25-15/h6-7,9-10H,3-5H2,1-2H3
InChIKeyOGNBLKDVGFKKAG-UHFFFAOYSA-N
XLogP3.88
TPSA106.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propoxy]pyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3,5-dimethyl-4-[3-[[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]oxy]propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 90449142
3-[4-[3-(2,6-dichloro-4-methylphenoxy)propoxy]-3,5-dimethylphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 90449151
3-[6-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propoxy]-5-fluoro-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 90449116
3-[3,5-dimethyl-4-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 71582280
(E)-1-[6-[2-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethoxy]-3-pyridinyl]-N-ethoxymethanimine
CID 71582680
3-[3,5-dimethyl-4-[3-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 71582586
3-[3,5-dimethyl-4-(4-pyridin-3-ylbutoxy)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 19082061
3-[3,5-dimethyl-4-[2-[(5-methyl-1H-imidazol-2-yl)sulfanyl]ethoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 90449545
3-[3,5-dimethyl-4-[2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]ethoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 71582446
4-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-(3-methyl-1,2-oxazol-5-yl)butan-1-one
CID 169006546
3-[6-[2-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethoxy]-5-fluoro-3-pyridinyl]-5-methyl-1,2,4-oxadiazole
CID 90449161
3-[4-[3-[6-(methoxymethyl)-3-pyridinyl]propoxy]-3,5-dimethylphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 19082054

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propoxy]pyrazine-2-carbonitrile?
The IUPAC name of 5-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propoxy]pyrazine-2-carbonitrile (CID 90449135) is 5-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propoxy]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propoxy]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propoxy]pyrazine-2-carbonitrile is Cc1cc(-c2noc(C(F)(F)F)n2)cc(C)c1OCCCOc1cnc(C#N)cn1.
What is the InChIKey of 5-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propoxy]pyrazine-2-carbonitrile?
The InChIKey is OGNBLKDVGFKKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O3/c1-11-6-13(17-26-18(30-27-17)19(20,21)22)7-12(2)16(11)29-5-3-4-28-15-10-24-14(8-23)9-25-15/h6-7,9-10H,3-5H2,1-2H3.
What are the key properties of 5-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propoxy]pyrazine-2-carbonitrile?
5-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propoxy]pyrazine-2-carbonitrile has a molecular weight of 419.36 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propoxy]pyrazine-2-carbonitrile is sourced from PubChem (CID 90449135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).