3-(4-fluorophenyl)-5-methyl-4-[[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazin-2-yl]oxymethyl]-1,2-oxazole

C20H18FN7O2 — CID 169206926

IUPAC3-(4-fluorophenyl)-5-methyl-4-[[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazin-2-yl]oxymethyl]-1,2-oxazole
SMILESCc1onc(-c2ccc(F)cc2)c1COc1cnc(-c2nnc3n2CCNC3)cn1
InChIInChI=1S/C20H18FN7O2/c1-12-15(19(27-30-12)13-2-4-14(21)5-3-13)11-29-18-10-23-16(8-24-18)20-26-25-17-9-22-6-7-28(17)20/h2-5,8,10,22H,6-7,9,11H2,1H3
InChIKeyUJHBWCWAGREJBV-UHFFFAOYSA-N
MW407.41 g/mol
LogP2.52
Rot. Bonds5

About 3-(4-fluorophenyl)-5-methyl-4-[[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazin-2-yl]oxymethyl]-1,2-oxazole

3-(4-fluorophenyl)-5-methyl-4-[[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazin-2-yl]oxymethyl]-1,2-oxazole (PubChem CID 169206926) has the molecular formula C20H18FN7O2 and a molecular weight of 407.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-4-[[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazin-2-yl]oxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-4-[[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazin-2-yl]oxymethyl]-1,2-oxazole
PubChem CID169206926
Molecular FormulaC20H18FN7O2
Molecular Weight407.41 g/mol
Exact Mass407.15
IUPAC Name3-(4-fluorophenyl)-5-methyl-4-[[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazin-2-yl]oxymethyl]-1,2-oxazole
SMILESCc1onc(-c2ccc(F)cc2)c1COc1cnc(-c2nnc3n2CCNC3)cn1
InChIInChI=1S/C20H18FN7O2/c1-12-15(19(27-30-12)13-2-4-14(21)5-3-13)11-29-18-10-23-16(8-24-18)20-26-25-17-9-22-6-7-28(17)20/h2-5,8,10,22H,6-7,9,11H2,1H3
InChIKeyUJHBWCWAGREJBV-UHFFFAOYSA-N
XLogP2.52
TPSA103.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-(4-fluorophenyl)-5-methyl-4-[[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazin-2-yl]oxymethyl]-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methyl-4-[[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazin-2-yl]oxymethyl]-1,2-oxazole?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-4-[[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazin-2-yl]oxymethyl]-1,2-oxazole (CID 169206926) is 3-(4-fluorophenyl)-5-methyl-4-[[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazin-2-yl]oxymethyl]-1,2-oxazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-4-[[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazin-2-yl]oxymethyl]-1,2-oxazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-4-[[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazin-2-yl]oxymethyl]-1,2-oxazole is Cc1onc(-c2ccc(F)cc2)c1COc1cnc(-c2nnc3n2CCNC3)cn1.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-4-[[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazin-2-yl]oxymethyl]-1,2-oxazole?
The InChIKey is UJHBWCWAGREJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN7O2/c1-12-15(19(27-30-12)13-2-4-14(21)5-3-13)11-29-18-10-23-16(8-24-18)20-26-25-17-9-22-6-7-28(17)20/h2-5,8,10,22H,6-7,9,11H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-5-methyl-4-[[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazin-2-yl]oxymethyl]-1,2-oxazole?
3-(4-fluorophenyl)-5-methyl-4-[[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazin-2-yl]oxymethyl]-1,2-oxazole has a molecular weight of 407.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-4-[[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazin-2-yl]oxymethyl]-1,2-oxazole is sourced from PubChem (CID 169206926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).