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

C16H18N4O — CID 58467108

IUPAC5-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
SMILESCc1n[nH]c(C)c1-c1ccc2c(c1)CC1(COC(N)=N1)C2
InChIInChI=1S/C16H18N4O/c1-9-14(10(2)20-19-9)11-3-4-12-6-16(7-13(12)5-11)8-21-15(17)18-16/h3-5H,6-8H2,1-2H3,(H2,17,18)(H,19,20)
InChIKeyAFHKUEZXKVEGEQ-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.88
Rot. Bonds1

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

5-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine (PubChem CID 58467108) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name5-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
PubChem CID58467108
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name5-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
SMILESCc1n[nH]c(C)c1-c1ccc2c(c1)CC1(COC(N)=N1)C2
InChIInChI=1S/C16H18N4O/c1-9-14(10(2)20-19-9)11-3-4-12-6-16(7-13(12)5-11)8-21-15(17)18-16/h3-5H,6-8H2,1-2H3,(H2,17,18)(H,19,20)
InChIKeyAFHKUEZXKVEGEQ-UHFFFAOYSA-N
XLogP1.88
TPSA76.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
The IUPAC name of 5-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine (CID 58467108) is 5-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine.
What is the SMILES notation for 5-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
The canonical SMILES for 5-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine is Cc1n[nH]c(C)c1-c1ccc2c(c1)CC1(COC(N)=N1)C2.
What is the InChIKey of 5-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
The InChIKey is AFHKUEZXKVEGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-9-14(10(2)20-19-9)11-3-4-12-6-16(7-13(12)5-11)8-21-15(17)18-16/h3-5H,6-8H2,1-2H3,(H2,17,18)(H,19,20).
What are the key properties of 5-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
5-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine has a molecular weight of 282.35 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 58467108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).