3-[5-(2-ethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-(4-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine

C19H19N7O2 — CID 91891546

IUPAC3-[5-(2-ethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-(4-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESCCn1nccc1-c1nc(-c2nnn3c2COC(c2ccc(C)cc2)C3)no1
InChIInChI=1S/C19H19N7O2/c1-3-25-14(8-9-20-25)19-21-18(23-28-19)17-15-11-27-16(10-26(15)24-22-17)13-6-4-12(2)5-7-13/h4-9,16H,3,10-11H2,1-2H3
InChIKeyZVIMEEVKVMZPFJ-UHFFFAOYSA-N
MW377.41 g/mol
LogP2.79
Rot. Bonds4

About 3-[5-(2-ethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-(4-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine

3-[5-(2-ethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-(4-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (PubChem CID 91891546) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 3-[5-(2-ethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-(4-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name3-[5-(2-ethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-(4-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
PubChem CID91891546
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name3-[5-(2-ethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-(4-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESCCn1nccc1-c1nc(-c2nnn3c2COC(c2ccc(C)cc2)C3)no1
InChIInChI=1S/C19H19N7O2/c1-3-25-14(8-9-20-25)19-21-18(23-28-19)17-15-11-27-16(10-26(15)24-22-17)13-6-4-12(2)5-7-13/h4-9,16H,3,10-11H2,1-2H3
InChIKeyZVIMEEVKVMZPFJ-UHFFFAOYSA-N
XLogP2.79
TPSA96.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[5-(2-ethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-(4-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-ethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-(4-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The IUPAC name of 3-[5-(2-ethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-(4-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (CID 91891546) is 3-[5-(2-ethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-(4-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 3-[5-(2-ethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-(4-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 3-[5-(2-ethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-(4-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine is CCn1nccc1-c1nc(-c2nnn3c2COC(c2ccc(C)cc2)C3)no1.
What is the InChIKey of 3-[5-(2-ethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-(4-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The InChIKey is ZVIMEEVKVMZPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-3-25-14(8-9-20-25)19-21-18(23-28-19)17-15-11-27-16(10-26(15)24-22-17)13-6-4-12(2)5-7-13/h4-9,16H,3,10-11H2,1-2H3.
What are the key properties of 3-[5-(2-ethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-(4-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
3-[5-(2-ethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-(4-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine has a molecular weight of 377.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-ethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-(4-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 91891546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).