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

C18H20FN5O — CID 136562897

IUPAC2-ethyl-5-[[3-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-oxazole
SMILESCCc1ncc(CN2CCn3c(Cc4ccccc4F)nnc3C2)o1
InChIInChI=1S/C18H20FN5O/c1-2-18-20-10-14(25-18)11-23-7-8-24-16(21-22-17(24)12-23)9-13-5-3-4-6-15(13)19/h3-6,10H,2,7-9,11-12H2,1H3
InChIKeyADKOMCMLSHYYLS-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.57
Rot. Bonds5

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

2-ethyl-5-[[3-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-oxazole (PubChem CID 136562897) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-ethyl-5-[[3-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-ethyl-5-[[3-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-oxazole
PubChem CID136562897
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC Name2-ethyl-5-[[3-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-oxazole
SMILESCCc1ncc(CN2CCn3c(Cc4ccccc4F)nnc3C2)o1
InChIInChI=1S/C18H20FN5O/c1-2-18-20-10-14(25-18)11-23-7-8-24-16(21-22-17(24)12-23)9-13-5-3-4-6-15(13)19/h3-6,10H,2,7-9,11-12H2,1H3
InChIKeyADKOMCMLSHYYLS-UHFFFAOYSA-N
XLogP2.57
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[[3-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-ethyl-5-[[3-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-oxazole (CID 136562897) is 2-ethyl-5-[[3-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-ethyl-5-[[3-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-ethyl-5-[[3-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-oxazole is CCc1ncc(CN2CCn3c(Cc4ccccc4F)nnc3C2)o1.
What is the InChIKey of 2-ethyl-5-[[3-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-oxazole?
The InChIKey is ADKOMCMLSHYYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-2-18-20-10-14(25-18)11-23-7-8-24-16(21-22-17(24)12-23)9-13-5-3-4-6-15(13)19/h3-6,10H,2,7-9,11-12H2,1H3.
What are the key properties of 2-ethyl-5-[[3-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-oxazole?
2-ethyl-5-[[3-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-oxazole has a molecular weight of 341.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[3-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 136562897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).