2'-methyl-6-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]

C17H19N3O — CID 58466946

IUPAC2'-methyl-6-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
SMILESCC1=NC2(CCc3ccc(-c4ccnn4C)cc3C2)CO1
InChIInChI=1S/C17H19N3O/c1-12-19-17(11-21-12)7-5-13-3-4-14(9-15(13)10-17)16-6-8-18-20(16)2/h3-4,6,8-9H,5,7,10-11H2,1-2H3
InChIKeyLETPMOYLIBWNTK-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.76
Rot. Bonds1

About 2'-methyl-6-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]

2'-methyl-6-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] (PubChem CID 58466946) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2'-methyl-6-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole].

Molecular Properties

Compound Name2'-methyl-6-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
PubChem CID58466946
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2'-methyl-6-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
SMILESCC1=NC2(CCc3ccc(-c4ccnn4C)cc3C2)CO1
InChIInChI=1S/C17H19N3O/c1-12-19-17(11-21-12)7-5-13-3-4-14(9-15(13)10-17)16-6-8-18-20(16)2/h3-4,6,8-9H,5,7,10-11H2,1-2H3
InChIKeyLETPMOYLIBWNTK-UHFFFAOYSA-N
XLogP2.76
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2'-methyl-6-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
The IUPAC name of 2'-methyl-6-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] (CID 58466946) is 2'-methyl-6-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole].
What is the SMILES notation for 2'-methyl-6-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
The canonical SMILES for 2'-methyl-6-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] is CC1=NC2(CCc3ccc(-c4ccnn4C)cc3C2)CO1.
What is the InChIKey of 2'-methyl-6-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
The InChIKey is LETPMOYLIBWNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-19-17(11-21-12)7-5-13-3-4-14(9-15(13)10-17)16-6-8-18-20(16)2/h3-4,6,8-9H,5,7,10-11H2,1-2H3.
What are the key properties of 2'-methyl-6-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
2'-methyl-6-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] has a molecular weight of 281.36 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methyl-6-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] is sourced from PubChem (CID 58466946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).