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

C15H15N3O — CID 58466884

IUPAC2'-methyl-4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]
SMILESCC1=NC2(CO1)Cc1cccc(-c3cn[nH]c3)c1C2
InChIInChI=1S/C15H15N3O/c1-10-18-15(9-19-10)5-11-3-2-4-13(14(11)6-15)12-7-16-17-8-12/h2-4,7-8H,5-6,9H2,1H3,(H,16,17)
InChIKeyMEBFPSXXCXMUHJ-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.36
Rot. Bonds1

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

2'-methyl-4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole] (PubChem CID 58466884) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2'-methyl-4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole].

Molecular Properties

Compound Name2'-methyl-4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]
PubChem CID58466884
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2'-methyl-4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]
SMILESCC1=NC2(CO1)Cc1cccc(-c3cn[nH]c3)c1C2
InChIInChI=1S/C15H15N3O/c1-10-18-15(9-19-10)5-11-3-2-4-13(14(11)6-15)12-7-16-17-8-12/h2-4,7-8H,5-6,9H2,1H3,(H,16,17)
InChIKeyMEBFPSXXCXMUHJ-UHFFFAOYSA-N
XLogP2.36
TPSA50.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2'-methyl-4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]?
The IUPAC name of 2'-methyl-4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole] (CID 58466884) is 2'-methyl-4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole].
What is the SMILES notation for 2'-methyl-4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]?
The canonical SMILES for 2'-methyl-4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole] is CC1=NC2(CO1)Cc1cccc(-c3cn[nH]c3)c1C2.
What is the InChIKey of 2'-methyl-4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]?
The InChIKey is MEBFPSXXCXMUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-18-15(9-19-10)5-11-3-2-4-13(14(11)6-15)12-7-16-17-8-12/h2-4,7-8H,5-6,9H2,1H3,(H,16,17).
What are the key properties of 2'-methyl-4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]?
2'-methyl-4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole] has a molecular weight of 253.31 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methyl-4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole] is sourced from PubChem (CID 58466884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).