2'-(1-methylpyrazol-4-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

C19H16N4O2 — CID 67437690

IUPAC2'-(1-methylpyrazol-4-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESCn1cc(-c2ccc3c(c2)C2(COC(N)=N2)c2ccccc2O3)cn1
InChIInChI=1S/C19H16N4O2/c1-23-10-13(9-21-23)12-6-7-17-15(8-12)19(11-24-18(20)22-19)14-4-2-3-5-16(14)25-17/h2-10H,11H2,1H3,(H2,20,22)
InChIKeyOUKZUZPXAXDDRL-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.78
Rot. Bonds1

About 2'-(1-methylpyrazol-4-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

2'-(1-methylpyrazol-4-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (PubChem CID 67437690) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2'-(1-methylpyrazol-4-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.

Molecular Properties

Compound Name2'-(1-methylpyrazol-4-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
PubChem CID67437690
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name2'-(1-methylpyrazol-4-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESCn1cc(-c2ccc3c(c2)C2(COC(N)=N2)c2ccccc2O3)cn1
InChIInChI=1S/C19H16N4O2/c1-23-10-13(9-21-23)12-6-7-17-15(8-12)19(11-24-18(20)22-19)14-4-2-3-5-16(14)25-17/h2-10H,11H2,1H3,(H2,20,22)
InChIKeyOUKZUZPXAXDDRL-UHFFFAOYSA-N
XLogP2.78
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2'-(1-methylpyrazol-4-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The IUPAC name of 2'-(1-methylpyrazol-4-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (CID 67437690) is 2'-(1-methylpyrazol-4-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.
What is the SMILES notation for 2'-(1-methylpyrazol-4-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The canonical SMILES for 2'-(1-methylpyrazol-4-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is Cn1cc(-c2ccc3c(c2)C2(COC(N)=N2)c2ccccc2O3)cn1.
What is the InChIKey of 2'-(1-methylpyrazol-4-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The InChIKey is OUKZUZPXAXDDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-23-10-13(9-21-23)12-6-7-17-15(8-12)19(11-24-18(20)22-19)14-4-2-3-5-16(14)25-17/h2-10H,11H2,1H3,(H2,20,22).
What are the key properties of 2'-(1-methylpyrazol-4-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
2'-(1-methylpyrazol-4-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine has a molecular weight of 332.36 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(1-methylpyrazol-4-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is sourced from PubChem (CID 67437690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).