6'-(1H-indazol-4-yl)dispiro[1,3-oxazole-4,4'-chromene-3',3''-oxetan]-2-amine

C20H18N4O3 — CID 86724306

IUPAC—
SMILESNC1=NC2(CO1)c1cc(-c3cccc4[nH]ncc34)ccc1OCC21COC1
InChIInChI=1S/C20H18N4O3/c21-18-23-20(11-27-18)15-6-12(13-2-1-3-16-14(13)7-22-24-16)4-5-17(15)26-10-19(20)8-25-9-19/h1-7H,8-11H2,(H2,21,23)(H,22,24)
InChIKeySGPHQOKHEJNHQB-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.18
Rot. Bonds1

About 6'-(1H-indazol-4-yl)dispiro[1,3-oxazole-4,4'-chromene-3',3''-oxetan]-2-amine

6'-(1H-indazol-4-yl)dispiro[1,3-oxazole-4,4'-chromene-3',3''-oxetan]-2-amine (PubChem CID 86724306) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol.

Molecular Properties

Compound Name6'-(1H-indazol-4-yl)dispiro[1,3-oxazole-4,4'-chromene-3',3''-oxetan]-2-amine
PubChem CID86724306
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name—
SMILESNC1=NC2(CO1)c1cc(-c3cccc4[nH]ncc34)ccc1OCC21COC1
InChIInChI=1S/C20H18N4O3/c21-18-23-20(11-27-18)15-6-12(13-2-1-3-16-14(13)7-22-24-16)4-5-17(15)26-10-19(20)8-25-9-19/h1-7H,8-11H2,(H2,21,23)(H,22,24)
InChIKeySGPHQOKHEJNHQB-UHFFFAOYSA-N
XLogP2.18
TPSA94.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6'-(1H-indazol-4-yl)dispiro[1,3-oxazole-4,4'-chromene-3',3''-oxetan]-2-amine?
The IUPAC name of 6'-(1H-indazol-4-yl)dispiro[1,3-oxazole-4,4'-chromene-3',3''-oxetan]-2-amine (CID 86724306) is not available.
What is the SMILES notation for 6'-(1H-indazol-4-yl)dispiro[1,3-oxazole-4,4'-chromene-3',3''-oxetan]-2-amine?
The canonical SMILES for 6'-(1H-indazol-4-yl)dispiro[1,3-oxazole-4,4'-chromene-3',3''-oxetan]-2-amine is NC1=NC2(CO1)c1cc(-c3cccc4[nH]ncc34)ccc1OCC21COC1.
What is the InChIKey of 6'-(1H-indazol-4-yl)dispiro[1,3-oxazole-4,4'-chromene-3',3''-oxetan]-2-amine?
The InChIKey is SGPHQOKHEJNHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c21-18-23-20(11-27-18)15-6-12(13-2-1-3-16-14(13)7-22-24-16)4-5-17(15)26-10-19(20)8-25-9-19/h1-7H,8-11H2,(H2,21,23)(H,22,24).
What are the key properties of 6'-(1H-indazol-4-yl)dispiro[1,3-oxazole-4,4'-chromene-3',3''-oxetan]-2-amine?
6'-(1H-indazol-4-yl)dispiro[1,3-oxazole-4,4'-chromene-3',3''-oxetan]-2-amine has a molecular weight of 362.39 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-(1H-indazol-4-yl)dispiro[1,3-oxazole-4,4'-chromene-3',3''-oxetan]-2-amine is sourced from PubChem (CID 86724306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).