CID 90056442

C20H19FN2O4 — CID 90056442

IUPAC—
SMILESCOc1ccc(F)c(-c2ccc3c(c2)C2(COC(N)=N2)C2(COC2)CO3)c1
InChIInChI=1S/C20H19FN2O4/c1-24-13-3-4-16(21)14(7-13)12-2-5-17-15(6-12)20(11-27-18(22)23-20)19(10-26-17)8-25-9-19/h2-7H,8-11H2,1H3,(H2,22,23)
InChIKeyXONPOKBMDJXSSK-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.45
Rot. Bonds2

About CID 90056442

CID 90056442 (PubChem CID 90056442) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol.

Molecular Properties

Compound NameCID 90056442
PubChem CID90056442
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name—
SMILESCOc1ccc(F)c(-c2ccc3c(c2)C2(COC(N)=N2)C2(COC2)CO3)c1
InChIInChI=1S/C20H19FN2O4/c1-24-13-3-4-16(21)14(7-13)12-2-5-17-15(6-12)20(11-27-18(22)23-20)19(10-26-17)8-25-9-19/h2-7H,8-11H2,1H3,(H2,22,23)
InChIKeyXONPOKBMDJXSSK-UHFFFAOYSA-N
XLogP2.45
TPSA75.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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,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
(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
2'-(5-chloro-2-fluorophenyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 71453620
2'-methoxy-7'-(3-methylphenyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 67246553
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
2'-methoxy-7'-[4-(trifluoromethoxy)phenyl]spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 67249135
US9650336, Example 8
CID 71550202

Frequently Asked Questions

What is the IUPAC name of CID 90056442?
The IUPAC name of CID 90056442 (CID 90056442) is not available.
What is the SMILES notation for CID 90056442?
The canonical SMILES for CID 90056442 is COc1ccc(F)c(-c2ccc3c(c2)C2(COC(N)=N2)C2(COC2)CO3)c1.
What is the InChIKey of CID 90056442?
The InChIKey is XONPOKBMDJXSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-24-13-3-4-16(21)14(7-13)12-2-5-17-15(6-12)20(11-27-18(22)23-20)19(10-26-17)8-25-9-19/h2-7H,8-11H2,1H3,(H2,22,23).
What are the key properties of CID 90056442?
CID 90056442 has a molecular weight of 370.38 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90056442 is sourced from PubChem (CID 90056442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).