2'-methoxy-7'-(3-methylphenyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

C23H20N2O3 — CID 67246553

IUPAC2'-methoxy-7'-(3-methylphenyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESCOc1ccc2c(c1)C1(COC(N)=N1)c1cc(-c3cccc(C)c3)ccc1O2
InChIInChI=1S/C23H20N2O3/c1-14-4-3-5-15(10-14)16-6-8-20-18(11-16)23(13-27-22(24)25-23)19-12-17(26-2)7-9-21(19)28-20/h3-12H,13H2,1-2H3,(H2,24,25)
InChIKeyNWMFBKUHCMUGKM-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.36
Rot. Bonds2

About 2'-methoxy-7'-(3-methylphenyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

2'-methoxy-7'-(3-methylphenyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (PubChem CID 67246553) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2'-methoxy-7'-(3-methylphenyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.

Molecular Properties

Compound Name2'-methoxy-7'-(3-methylphenyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
PubChem CID67246553
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name2'-methoxy-7'-(3-methylphenyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESCOc1ccc2c(c1)C1(COC(N)=N1)c1cc(-c3cccc(C)c3)ccc1O2
InChIInChI=1S/C23H20N2O3/c1-14-4-3-5-15(10-14)16-6-8-20-18(11-16)23(13-27-22(24)25-23)19-12-17(26-2)7-9-21(19)28-20/h3-12H,13H2,1-2H3,(H2,24,25)
InChIKeyNWMFBKUHCMUGKM-UHFFFAOYSA-N
XLogP4.36
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4s)-2'-(5-Chloro-2-Fluorophenyl)-7'-Methoxyspiro[1,3-Oxazole-4,9'-Xanthen]-2-Amine
CID 45255110
2'-(2-fluoro-5-methoxyphenyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 45256108
2'-(2-fluoro-3-methoxyphenyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 67247971
3-[(4aS,5R,10aS)-2'-aminospiro[3,4,4a,10a-tetrahydro-1H-pyrano[3,4-b]chromene-5,4'-5H-1,3-oxazole]-7-yl]benzonitrile
CID 67950045
3-[(4aS,10R,10aR)-2'-amino-4a-methylspiro[2,3,4,10a-tetrahydropyrano[3,2-b]chromene-10,4'-5H-1,3-oxazole]-8-yl]benzonitrile
CID 67950125
3-[(4aS,10R,10aS)-2'-amino-4a-methylspiro[1,3,4,10a-tetrahydropyrano[4,3-b]chromene-10,4'-5H-1,3-oxazole]-8-yl]benzonitrile
CID 67950181
2'-(3-chlorophenyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 71453618
2'-(5-chloro-2-fluorophenyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 71453620
2'-(2-chlorophenyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 67246237
2'-methoxy-7'-[3-(trifluoromethoxy)phenyl]spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 67246725
2'-(3-chloro-2-fluorophenyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 67246787
2'-methoxy-7'-(2-methylphenyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 67247849

Frequently Asked Questions

What is the IUPAC name of 2'-methoxy-7'-(3-methylphenyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The IUPAC name of 2'-methoxy-7'-(3-methylphenyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (CID 67246553) is 2'-methoxy-7'-(3-methylphenyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.
What is the SMILES notation for 2'-methoxy-7'-(3-methylphenyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The canonical SMILES for 2'-methoxy-7'-(3-methylphenyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is COc1ccc2c(c1)C1(COC(N)=N1)c1cc(-c3cccc(C)c3)ccc1O2.
What is the InChIKey of 2'-methoxy-7'-(3-methylphenyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The InChIKey is NWMFBKUHCMUGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-14-4-3-5-15(10-14)16-6-8-20-18(11-16)23(13-27-22(24)25-23)19-12-17(26-2)7-9-21(19)28-20/h3-12H,13H2,1-2H3,(H2,24,25).
What are the key properties of 2'-methoxy-7'-(3-methylphenyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
2'-methoxy-7'-(3-methylphenyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine has a molecular weight of 372.42 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methoxy-7'-(3-methylphenyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is sourced from PubChem (CID 67246553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).