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

C18H18FN5O — CID 71932650

IUPAC2-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-5-(4-fluorophenyl)-1,3-oxazole
SMILESFc1ccc(-c2cnc(CN3CCn4c(nnc4C4CC4)C3)o2)cc1
InChIInChI=1S/C18H18FN5O/c19-14-5-3-12(4-6-14)15-9-20-17(25-15)11-23-7-8-24-16(10-23)21-22-18(24)13-1-2-13/h3-6,9,13H,1-2,7-8,10-11H2
InChIKeyAOVQLLFTJBBECM-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.97
Rot. Bonds4

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

2-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-5-(4-fluorophenyl)-1,3-oxazole (PubChem CID 71932650) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-5-(4-fluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-5-(4-fluorophenyl)-1,3-oxazole
PubChem CID71932650
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name2-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-5-(4-fluorophenyl)-1,3-oxazole
SMILESFc1ccc(-c2cnc(CN3CCn4c(nnc4C4CC4)C3)o2)cc1
InChIInChI=1S/C18H18FN5O/c19-14-5-3-12(4-6-14)15-9-20-17(25-15)11-23-7-8-24-16(10-23)21-22-18(24)13-1-2-13/h3-6,9,13H,1-2,7-8,10-11H2
InChIKeyAOVQLLFTJBBECM-UHFFFAOYSA-N
XLogP2.97
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-5-(4-fluorophenyl)-1,3-oxazole?
The IUPAC name of 2-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-5-(4-fluorophenyl)-1,3-oxazole (CID 71932650) is 2-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-5-(4-fluorophenyl)-1,3-oxazole.
What is the SMILES notation for 2-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-5-(4-fluorophenyl)-1,3-oxazole?
The canonical SMILES for 2-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-5-(4-fluorophenyl)-1,3-oxazole is Fc1ccc(-c2cnc(CN3CCn4c(nnc4C4CC4)C3)o2)cc1.
What is the InChIKey of 2-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-5-(4-fluorophenyl)-1,3-oxazole?
The InChIKey is AOVQLLFTJBBECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c19-14-5-3-12(4-6-14)15-9-20-17(25-15)11-23-7-8-24-16(10-23)21-22-18(24)13-1-2-13/h3-6,9,13H,1-2,7-8,10-11H2.
What are the key properties of 2-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-5-(4-fluorophenyl)-1,3-oxazole?
2-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-5-(4-fluorophenyl)-1,3-oxazole has a molecular weight of 339.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-5-(4-fluorophenyl)-1,3-oxazole is sourced from PubChem (CID 71932650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).