(4R)-2'-(3,6-dihydro-2H-pyran-4-yl)-7'-pyrazin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

C24H20N4O3 — CID 53464817

IUPAC(4R)-2'-(3,6-dihydro-2H-pyran-4-yl)-7'-pyrazin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESNC1=N[C@]2(CO1)c1cc(C3=CCOCC3)ccc1Oc1ccc(-c3cnccn3)cc12
InChIInChI=1S/C24H20N4O3/c25-23-28-24(14-30-23)18-11-16(15-5-9-29-10-6-15)1-3-21(18)31-22-4-2-17(12-19(22)24)20-13-26-7-8-27-20/h1-5,7-8,11-13H,6,9-10,14H2,(H2,25,28)/t24-/m1/s1
InChIKeyXRYFXKCQNNXUDG-XMMPIXPASA-N
MW412.45 g/mol
LogP3.64
Rot. Bonds2

About (4R)-2'-(3,6-dihydro-2H-pyran-4-yl)-7'-pyrazin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

(4R)-2'-(3,6-dihydro-2H-pyran-4-yl)-7'-pyrazin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (PubChem CID 53464817) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is (4R)-2'-(3,6-dihydro-2H-pyran-4-yl)-7'-pyrazin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.

Molecular Properties

Compound Name(4R)-2'-(3,6-dihydro-2H-pyran-4-yl)-7'-pyrazin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
PubChem CID53464817
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name(4R)-2'-(3,6-dihydro-2H-pyran-4-yl)-7'-pyrazin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESNC1=N[C@]2(CO1)c1cc(C3=CCOCC3)ccc1Oc1ccc(-c3cnccn3)cc12
InChIInChI=1S/C24H20N4O3/c25-23-28-24(14-30-23)18-11-16(15-5-9-29-10-6-15)1-3-21(18)31-22-4-2-17(12-19(22)24)20-13-26-7-8-27-20/h1-5,7-8,11-13H,6,9-10,14H2,(H2,25,28)/t24-/m1/s1
InChIKeyXRYFXKCQNNXUDG-XMMPIXPASA-N
XLogP3.64
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(4R)-2-amino-7'-(3,6-dihydro-2H-pyran-4-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2'-yl] trifluoromethanesulfonate
CID 86658491
3'-(3,6-dihydro-2H-pyran-4-yl)-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 67241023
3-[(4S)-2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-7'-yl]benzonitrile
CID 53464564
(4S)-3'-(3,6-dihydro-2H-pyran-4-yl)-7'-(2-fluoro-5-methyl-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 45254701
(4S)-3'-(3,6-dihydro-2H-pyran-4-yl)-7'-(5-prop-1-ynyl-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
CID 53464259
(4R)-2'-pyridin-3-yl-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 59272337
(4S)-2-amino-7'-bromo-3'-fluorospiro[1,3-oxazolidine-4,9'-xanthene]-2'-ol;(4R)-7'-(3,6-dihydro-2H-pyran-4-yl)-3'-fluoro-2'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 159374464
(4S)-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 58466160
7'-(6-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 67437158
2-amino-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-ol
CID 58466141
1'-fluoro-3',7'-dipyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 67241930
(4S)-2-amino-7'-bromo-4'-fluorospiro[5H-1,3-oxazole-4,9'-xanthene]-2'-ol;(4S)-2'-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4'-fluoro-7'-pyrazin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 157342008

Frequently Asked Questions

What is the IUPAC name of (4R)-2'-(3,6-dihydro-2H-pyran-4-yl)-7'-pyrazin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The IUPAC name of (4R)-2'-(3,6-dihydro-2H-pyran-4-yl)-7'-pyrazin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (CID 53464817) is (4R)-2'-(3,6-dihydro-2H-pyran-4-yl)-7'-pyrazin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.
What is the SMILES notation for (4R)-2'-(3,6-dihydro-2H-pyran-4-yl)-7'-pyrazin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The canonical SMILES for (4R)-2'-(3,6-dihydro-2H-pyran-4-yl)-7'-pyrazin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is NC1=N[C@]2(CO1)c1cc(C3=CCOCC3)ccc1Oc1ccc(-c3cnccn3)cc12.
What is the InChIKey of (4R)-2'-(3,6-dihydro-2H-pyran-4-yl)-7'-pyrazin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The InChIKey is XRYFXKCQNNXUDG-XMMPIXPASA-N. The full InChI is InChI=1S/C24H20N4O3/c25-23-28-24(14-30-23)18-11-16(15-5-9-29-10-6-15)1-3-21(18)31-22-4-2-17(12-19(22)24)20-13-26-7-8-27-20/h1-5,7-8,11-13H,6,9-10,14H2,(H2,25,28)/t24-/m1/s1.
What are the key properties of (4R)-2'-(3,6-dihydro-2H-pyran-4-yl)-7'-pyrazin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
(4R)-2'-(3,6-dihydro-2H-pyran-4-yl)-7'-pyrazin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine has a molecular weight of 412.45 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2'-(3,6-dihydro-2H-pyran-4-yl)-7'-pyrazin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is sourced from PubChem (CID 53464817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).