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

C20H22N2O3 — CID 58466214

IUPAC(4S)-2'-(2,2-dimethylpropoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESCC(C)(C)COc1ccc2c(c1)[C@]1(COC(N)=N1)c1ccccc1O2
InChIInChI=1S/C20H22N2O3/c1-19(2,3)11-23-13-8-9-17-15(10-13)20(12-24-18(21)22-20)14-6-4-5-7-16(14)25-17/h4-10H,11-12H2,1-3H3,(H2,21,22)/t20-/m0/s1
InChIKeyPVWILAAXOBQBCV-FQEVSTJZSA-N
MW338.41 g/mol
LogP3.81
Rot. Bonds2

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

(4S)-2'-(2,2-dimethylpropoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (PubChem CID 58466214) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (4S)-2'-(2,2-dimethylpropoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.

Molecular Properties

Compound Name(4S)-2'-(2,2-dimethylpropoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
PubChem CID58466214
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(4S)-2'-(2,2-dimethylpropoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESCC(C)(C)COc1ccc2c(c1)[C@]1(COC(N)=N1)c1ccccc1O2
InChIInChI=1S/C20H22N2O3/c1-19(2,3)11-23-13-8-9-17-15(10-13)20(12-24-18(21)22-20)14-6-4-5-7-16(14)25-17/h4-10H,11-12H2,1-3H3,(H2,21,22)/t20-/m0/s1
InChIKeyPVWILAAXOBQBCV-FQEVSTJZSA-N
XLogP3.81
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-2-amino-7'-(2,2-dimethylpropoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2'-carbonitrile
CID 58466146
(4R)-2'-(2,2-dimethylpropoxy)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 67248077
(4R)-2'-(2,2-dimethylpropoxy)-7'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 58466224
1'-(2,2-dimethylpropoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 68576946
7'-(2,2-dimethylpropoxy)-3'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 58466307
7'-(2,2-dimethylpropoxy)-3'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
CID 67242239
(4S)-2'-(2,2-dimethylpropoxy)-7'-[(3S)-oxan-3-yl]spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 67437042
1-(2-amino-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-yl)oxy-2-methylbutan-2-ol
CID 67437483
(4R)-2'-bromo-7'-(2,2-dimethylpropoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine;(4S)-2'-(2,2-dimethylpropoxy)-7'-(5-methyl-1H-pyrazol-4-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 158766582
1'-propoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 68577523
(4S)-7'-[(3-methyloxetan-3-yl)methoxy]-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
CID 45256482
2'-(2-chloro-3-pyridinyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 87503806

Frequently Asked Questions

What is the IUPAC name of (4S)-2'-(2,2-dimethylpropoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The IUPAC name of (4S)-2'-(2,2-dimethylpropoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (CID 58466214) is (4S)-2'-(2,2-dimethylpropoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.
What is the SMILES notation for (4S)-2'-(2,2-dimethylpropoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The canonical SMILES for (4S)-2'-(2,2-dimethylpropoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is CC(C)(C)COc1ccc2c(c1)[C@]1(COC(N)=N1)c1ccccc1O2.
What is the InChIKey of (4S)-2'-(2,2-dimethylpropoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The InChIKey is PVWILAAXOBQBCV-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-19(2,3)11-23-13-8-9-17-15(10-13)20(12-24-18(21)22-20)14-6-4-5-7-16(14)25-17/h4-10H,11-12H2,1-3H3,(H2,21,22)/t20-/m0/s1.
What are the key properties of (4S)-2'-(2,2-dimethylpropoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
(4S)-2'-(2,2-dimethylpropoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine has a molecular weight of 338.41 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2'-(2,2-dimethylpropoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is sourced from PubChem (CID 58466214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).