6-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole]-2'-amine

C16H18N4O2 — CID 58467210

IUPAC6-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole]-2'-amine
SMILESCc1n[nH]c(C)c1-c1ccc2c(c1)CC1(COC(N)=N1)CO2
InChIInChI=1S/C16H18N4O2/c1-9-14(10(2)20-19-9)11-3-4-13-12(5-11)6-16(7-21-13)8-22-15(17)18-16/h3-5H,6-8H2,1-2H3,(H2,17,18)(H,19,20)
InChIKeyZESYXLIKIOMTDN-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.71
Rot. Bonds1

About 6-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole]-2'-amine

6-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole]-2'-amine (PubChem CID 58467210) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name6-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole]-2'-amine
PubChem CID58467210
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name6-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole]-2'-amine
SMILESCc1n[nH]c(C)c1-c1ccc2c(c1)CC1(COC(N)=N1)CO2
InChIInChI=1S/C16H18N4O2/c1-9-14(10(2)20-19-9)11-3-4-13-12(5-11)6-16(7-21-13)8-22-15(17)18-16/h3-5H,6-8H2,1-2H3,(H2,17,18)(H,19,20)
InChIKeyZESYXLIKIOMTDN-UHFFFAOYSA-N
XLogP1.71
TPSA85.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole]-2'-amine?
The IUPAC name of 6-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole]-2'-amine (CID 58467210) is 6-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole]-2'-amine.
What is the SMILES notation for 6-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole]-2'-amine?
The canonical SMILES for 6-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole]-2'-amine is Cc1n[nH]c(C)c1-c1ccc2c(c1)CC1(COC(N)=N1)CO2.
What is the InChIKey of 6-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole]-2'-amine?
The InChIKey is ZESYXLIKIOMTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-9-14(10(2)20-19-9)11-3-4-13-12(5-11)6-16(7-21-13)8-22-15(17)18-16/h3-5H,6-8H2,1-2H3,(H2,17,18)(H,19,20).
What are the key properties of 6-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole]-2'-amine?
6-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole]-2'-amine has a molecular weight of 298.35 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1H-pyrazol-4-yl)spiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 58467210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).