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

C14H14N4O — CID 58467104

IUPAC4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
SMILESNC1=NC2(CO1)Cc1cccc(-c3cn[nH]c3)c1C2
InChIInChI=1S/C14H14N4O/c15-13-18-14(8-19-13)4-9-2-1-3-11(12(9)5-14)10-6-16-17-7-10/h1-3,6-7H,4-5,8H2,(H2,15,18)(H,16,17)
InChIKeyIOEUEDLJWMQYJM-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.26
Rot. Bonds1

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

4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine (PubChem CID 58467104) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
PubChem CID58467104
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
SMILESNC1=NC2(CO1)Cc1cccc(-c3cn[nH]c3)c1C2
InChIInChI=1S/C14H14N4O/c15-13-18-14(8-19-13)4-9-2-1-3-11(12(9)5-14)10-6-16-17-7-10/h1-3,6-7H,4-5,8H2,(H2,15,18)(H,16,17)
InChIKeyIOEUEDLJWMQYJM-UHFFFAOYSA-N
XLogP1.26
TPSA76.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
The IUPAC name of 4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine (CID 58467104) is 4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine.
What is the SMILES notation for 4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
The canonical SMILES for 4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine is NC1=NC2(CO1)Cc1cccc(-c3cn[nH]c3)c1C2.
What is the InChIKey of 4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
The InChIKey is IOEUEDLJWMQYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-13-18-14(8-19-13)4-9-2-1-3-11(12(9)5-14)10-6-16-17-7-10/h1-3,6-7H,4-5,8H2,(H2,15,18)(H,16,17).
What are the key properties of 4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine has a molecular weight of 254.29 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 58467104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).