(4S)-3'-[(E)-2-(3-methyloxetan-3-yl)ethenyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine

C20H19N3O3 — CID 160757073

IUPAC(4S)-3'-[(E)-2-(3-methyloxetan-3-yl)ethenyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
SMILESCC1(/C=C/c2cnc3c(c2)[C@]2(COC(N)=N2)c2ccccc2O3)COC1
InChIInChI=1S/C20H19N3O3/c1-19(10-24-11-19)7-6-13-8-15-17(22-9-13)26-16-5-3-2-4-14(16)20(15)12-25-18(21)23-20/h2-9H,10-12H2,1H3,(H2,21,23)/b7-6+/t20-/m0/s1
InChIKeyJZCSCZZAWHPASO-YJJPMGAVSA-N
MW349.39 g/mol
LogP2.83
Rot. Bonds2

About (4S)-3'-[(E)-2-(3-methyloxetan-3-yl)ethenyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine

(4S)-3'-[(E)-2-(3-methyloxetan-3-yl)ethenyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine (PubChem CID 160757073) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is (4S)-3'-[(E)-2-(3-methyloxetan-3-yl)ethenyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine.

Molecular Properties

Compound Name(4S)-3'-[(E)-2-(3-methyloxetan-3-yl)ethenyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
PubChem CID160757073
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name(4S)-3'-[(E)-2-(3-methyloxetan-3-yl)ethenyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
SMILESCC1(/C=C/c2cnc3c(c2)[C@]2(COC(N)=N2)c2ccccc2O3)COC1
InChIInChI=1S/C20H19N3O3/c1-19(10-24-11-19)7-6-13-8-15-17(22-9-13)26-16-5-3-2-4-14(16)20(15)12-25-18(21)23-20/h2-9H,10-12H2,1H3,(H2,21,23)/b7-6+/t20-/m0/s1
InChIKeyJZCSCZZAWHPASO-YJJPMGAVSA-N
XLogP2.83
TPSA78.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-3'-(3,3-dimethylbut-1-ynyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
CID 154356863
(4S)-7'-[(3-methyloxetan-3-yl)methoxy]-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
CID 45256482
(4S)-2'-(2,2-dimethylpropoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 58466214
1'-propoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 68577523
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-b]pyridine]-2-amine
CID 67242239
7'-(3-chloro-2-fluorophenyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
CID 67438005
(4R)-8'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
CID 67383475
7'-(2-fluoro-3-pyridinyl)-3'-(2-methoxy-2-methylpropoxy)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
CID 58466137
spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine
CID 86658382
1'-(3,3-dimethylbut-1-ynyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 68576995
(4S)-3'-(2-methylbutylsulfanyl)-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
CID 58466179

Frequently Asked Questions

What is the IUPAC name of (4S)-3'-[(E)-2-(3-methyloxetan-3-yl)ethenyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine?
The IUPAC name of (4S)-3'-[(E)-2-(3-methyloxetan-3-yl)ethenyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine (CID 160757073) is (4S)-3'-[(E)-2-(3-methyloxetan-3-yl)ethenyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine.
What is the SMILES notation for (4S)-3'-[(E)-2-(3-methyloxetan-3-yl)ethenyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine?
The canonical SMILES for (4S)-3'-[(E)-2-(3-methyloxetan-3-yl)ethenyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine is CC1(/C=C/c2cnc3c(c2)[C@]2(COC(N)=N2)c2ccccc2O3)COC1.
What is the InChIKey of (4S)-3'-[(E)-2-(3-methyloxetan-3-yl)ethenyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine?
The InChIKey is JZCSCZZAWHPASO-YJJPMGAVSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-19(10-24-11-19)7-6-13-8-15-17(22-9-13)26-16-5-3-2-4-14(16)20(15)12-25-18(21)23-20/h2-9H,10-12H2,1H3,(H2,21,23)/b7-6+/t20-/m0/s1.
What are the key properties of (4S)-3'-[(E)-2-(3-methyloxetan-3-yl)ethenyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine?
(4S)-3'-[(E)-2-(3-methyloxetan-3-yl)ethenyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine has a molecular weight of 349.39 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3'-[(E)-2-(3-methyloxetan-3-yl)ethenyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine is sourced from PubChem (CID 160757073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).