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

C16H17N3O — CID 58466629

IUPAC2'-methyl-5-(2-methylpyrazol-3-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]
SMILESCC1=NC2(CO1)Cc1ccc(-c3ccnn3C)cc1C2
InChIInChI=1S/C16H17N3O/c1-11-18-16(10-20-11)8-13-4-3-12(7-14(13)9-16)15-5-6-17-19(15)2/h3-7H,8-10H2,1-2H3
InChIKeyOKBFJZKMUZHVJV-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.37
Rot. Bonds1

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

2'-methyl-5-(2-methylpyrazol-3-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole] (PubChem CID 58466629) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2'-methyl-5-(2-methylpyrazol-3-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole].

Molecular Properties

Compound Name2'-methyl-5-(2-methylpyrazol-3-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]
PubChem CID58466629
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2'-methyl-5-(2-methylpyrazol-3-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]
SMILESCC1=NC2(CO1)Cc1ccc(-c3ccnn3C)cc1C2
InChIInChI=1S/C16H17N3O/c1-11-18-16(10-20-11)8-13-4-3-12(7-14(13)9-16)15-5-6-17-19(15)2/h3-7H,8-10H2,1-2H3
InChIKeyOKBFJZKMUZHVJV-UHFFFAOYSA-N
XLogP2.37
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2'-methyl-5-(2-methylpyrazol-3-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]?
The IUPAC name of 2'-methyl-5-(2-methylpyrazol-3-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole] (CID 58466629) is 2'-methyl-5-(2-methylpyrazol-3-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole].
What is the SMILES notation for 2'-methyl-5-(2-methylpyrazol-3-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]?
The canonical SMILES for 2'-methyl-5-(2-methylpyrazol-3-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole] is CC1=NC2(CO1)Cc1ccc(-c3ccnn3C)cc1C2.
What is the InChIKey of 2'-methyl-5-(2-methylpyrazol-3-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]?
The InChIKey is OKBFJZKMUZHVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-18-16(10-20-11)8-13-4-3-12(7-14(13)9-16)15-5-6-17-19(15)2/h3-7H,8-10H2,1-2H3.
What are the key properties of 2'-methyl-5-(2-methylpyrazol-3-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]?
2'-methyl-5-(2-methylpyrazol-3-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole] has a molecular weight of 267.33 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methyl-5-(2-methylpyrazol-3-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole] is sourced from PubChem (CID 58466629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).