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

C17H20N4O — CID 58467096

IUPAC5-(1-propylpyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
SMILESCCCn1cc(-c2ccc3c(c2)CC2(COC(N)=N2)C3)cn1
InChIInChI=1S/C17H20N4O/c1-2-5-21-10-15(9-19-21)12-3-4-13-7-17(8-14(13)6-12)11-22-16(18)20-17/h3-4,6,9-10H,2,5,7-8,11H2,1H3,(H2,18,20)
InChIKeyWQCDAHOUPQWHHA-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.14
Rot. Bonds3

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

5-(1-propylpyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine (PubChem CID 58467096) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-(1-propylpyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name5-(1-propylpyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
PubChem CID58467096
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name5-(1-propylpyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
SMILESCCCn1cc(-c2ccc3c(c2)CC2(COC(N)=N2)C3)cn1
InChIInChI=1S/C17H20N4O/c1-2-5-21-10-15(9-19-21)12-3-4-13-7-17(8-14(13)6-12)11-22-16(18)20-17/h3-4,6,9-10H,2,5,7-8,11H2,1H3,(H2,18,20)
InChIKeyWQCDAHOUPQWHHA-UHFFFAOYSA-N
XLogP2.14
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-propylpyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
The IUPAC name of 5-(1-propylpyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine (CID 58467096) is 5-(1-propylpyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine.
What is the SMILES notation for 5-(1-propylpyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
The canonical SMILES for 5-(1-propylpyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine is CCCn1cc(-c2ccc3c(c2)CC2(COC(N)=N2)C3)cn1.
What is the InChIKey of 5-(1-propylpyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
The InChIKey is WQCDAHOUPQWHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-2-5-21-10-15(9-19-21)12-3-4-13-7-17(8-14(13)6-12)11-22-16(18)20-17/h3-4,6,9-10H,2,5,7-8,11H2,1H3,(H2,18,20).
What are the key properties of 5-(1-propylpyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
5-(1-propylpyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine has a molecular weight of 296.37 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-propylpyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 58467096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).