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

C16H18N4O — CID 58467033

IUPAC4-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
SMILESCc1n[nH]c(C)c1-c1cccc2c1CC1(COC(N)=N1)C2
InChIInChI=1S/C16H18N4O/c1-9-14(10(2)20-19-9)12-5-3-4-11-6-16(7-13(11)12)8-21-15(17)18-16/h3-5H,6-8H2,1-2H3,(H2,17,18)(H,19,20)
InChIKeyAUVHCVIYKVMGJM-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.88
Rot. Bonds1

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

4-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine (PubChem CID 58467033) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name4-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
PubChem CID58467033
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name4-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
SMILESCc1n[nH]c(C)c1-c1cccc2c1CC1(COC(N)=N1)C2
InChIInChI=1S/C16H18N4O/c1-9-14(10(2)20-19-9)12-5-3-4-11-6-16(7-13(11)12)8-21-15(17)18-16/h3-5H,6-8H2,1-2H3,(H2,17,18)(H,19,20)
InChIKeyAUVHCVIYKVMGJM-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
The IUPAC name of 4-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine (CID 58467033) is 4-(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 4-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
The canonical SMILES for 4-(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-c1cccc2c1CC1(COC(N)=N1)C2.
What is the InChIKey of 4-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
The InChIKey is AUVHCVIYKVMGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-9-14(10(2)20-19-9)12-5-3-4-11-6-16(7-13(11)12)8-21-15(17)18-16/h3-5H,6-8H2,1-2H3,(H2,17,18)(H,19,20).
What are the key properties of 4-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
4-(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 4-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 58467033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).