2'-(3-chlorophenyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

C22H17ClN2O3 — CID 71453618

IUPAC2'-(3-chlorophenyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESCOc1ccc2c(c1)C1(COC(N)=N1)c1cc(-c3cccc(Cl)c3)ccc1O2
InChIInChI=1S/C22H17ClN2O3/c1-26-16-6-8-20-18(11-16)22(12-27-21(24)25-22)17-10-14(5-7-19(17)28-20)13-3-2-4-15(23)9-13/h2-11H,12H2,1H3,(H2,24,25)
InChIKeyNKHRLQPRZCHQJE-UHFFFAOYSA-N
MW392.84 g/mol
LogP4.71
Rot. Bonds2

About 2'-(3-chlorophenyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

2'-(3-chlorophenyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (PubChem CID 71453618) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is 2'-(3-chlorophenyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.

Molecular Properties

Compound Name2'-(3-chlorophenyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
PubChem CID71453618
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC Name2'-(3-chlorophenyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESCOc1ccc2c(c1)C1(COC(N)=N1)c1cc(-c3cccc(Cl)c3)ccc1O2
InChIInChI=1S/C22H17ClN2O3/c1-26-16-6-8-20-18(11-16)22(12-27-21(24)25-22)17-10-14(5-7-19(17)28-20)13-3-2-4-15(23)9-13/h2-11H,12H2,1H3,(H2,24,25)
InChIKeyNKHRLQPRZCHQJE-UHFFFAOYSA-N
XLogP4.71
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 54.71
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
(4aS,5R,10aS)-7-(3-chloro-5-fluorophenyl)spiro[3,4,4a,10a-tetrahydro-1H-pyrano[3,4-b]chromene-5,4'-5H-1,3-oxazole]-2'-amine
CID 67950143
(4aS,10R,10aR)-8-(3-chloro-5-fluorophenyl)-4a-methylspiro[2,3,4,10a-tetrahydropyrano[3,2-b]chromene-10,4'-5H-1,3-oxazole]-2'-amine
CID 67950205
(4aS,10R,10aS)-8-(3-chloro-5-fluorophenyl)-4a-methylspiro[1,3,4,10a-tetrahydropyrano[4,3-b]chromene-10,4'-5H-1,3-oxazole]-2'-amine
CID 67950244
US8865911, 48 Isomer 3
CID 57386410
US8865911, 48 Isomer 2
CID 67979698
2'-(5-chloro-2-fluorophenyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 71453620
4-[3-(3-chlorophenyl)phenyl]-4-(4-methoxyphenyl)-5H-1,3-oxazol-2-amine
CID 44193108
4-[3-(5-chloro-2-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-5H-1,3-oxazol-2-amine
CID 44193111
2'-(2-chlorophenyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 67246237

Frequently Asked Questions

What is the IUPAC name of 2'-(3-chlorophenyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The IUPAC name of 2'-(3-chlorophenyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (CID 71453618) is 2'-(3-chlorophenyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.
What is the SMILES notation for 2'-(3-chlorophenyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The canonical SMILES for 2'-(3-chlorophenyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is COc1ccc2c(c1)C1(COC(N)=N1)c1cc(-c3cccc(Cl)c3)ccc1O2.
What is the InChIKey of 2'-(3-chlorophenyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The InChIKey is NKHRLQPRZCHQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c1-26-16-6-8-20-18(11-16)22(12-27-21(24)25-22)17-10-14(5-7-19(17)28-20)13-3-2-4-15(23)9-13/h2-11H,12H2,1H3,(H2,24,25).
What are the key properties of 2'-(3-chlorophenyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
2'-(3-chlorophenyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine has a molecular weight of 392.84 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(3-chlorophenyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is sourced from PubChem (CID 71453618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).