CID 90056447

C22H21FN2O3 — CID 90056447

IUPAC—
SMILESNC1=NC2(CO1)c1cc(-c3cccc(F)c3)ccc1OC1(CCC1)C21COC1
InChIInChI=1S/C22H21FN2O3/c23-16-4-1-3-14(9-16)15-5-6-18-17(10-15)22(13-27-19(24)25-22)20(11-26-12-20)21(28-18)7-2-8-21/h1,3-6,9-10H,2,7-8,11-13H2,(H2,24,25)
InChIKeyAORINRZTSWKVOX-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.36
Rot. Bonds1

About CID 90056447

CID 90056447 (PubChem CID 90056447) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol.

Molecular Properties

Compound NameCID 90056447
PubChem CID90056447
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC Name—
SMILESNC1=NC2(CO1)c1cc(-c3cccc(F)c3)ccc1OC1(CCC1)C21COC1
InChIInChI=1S/C22H21FN2O3/c23-16-4-1-3-14(9-16)15-5-6-18-17(10-15)22(13-27-19(24)25-22)20(11-26-12-20)21(28-18)7-2-8-21/h1,3-6,9-10H,2,7-8,11-13H2,(H2,24,25)
InChIKeyAORINRZTSWKVOX-UHFFFAOYSA-N
XLogP3.36
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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,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
(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'-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'-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
6'-(3-Chloro-5-fluorophenyl)-2',2'-dimethyldispiro[1,3-oxazole-4,4'-chromene-3',3''-oxetan]-2-amine
CID 86724313
6'-(2-Fluoro-5-methoxyphenyl)trispiro[cyclobutane-1,2'-chromene-4',4''-[1,3]oxazole-3',3'''-oxetan]-2''-amine
CID 90025640

Frequently Asked Questions

What is the IUPAC name of CID 90056447?
The IUPAC name of CID 90056447 (CID 90056447) is not available.
What is the SMILES notation for CID 90056447?
The canonical SMILES for CID 90056447 is NC1=NC2(CO1)c1cc(-c3cccc(F)c3)ccc1OC1(CCC1)C21COC1.
What is the InChIKey of CID 90056447?
The InChIKey is AORINRZTSWKVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c23-16-4-1-3-14(9-16)15-5-6-18-17(10-15)22(13-27-19(24)25-22)20(11-26-12-20)21(28-18)7-2-8-21/h1,3-6,9-10H,2,7-8,11-13H2,(H2,24,25).
What are the key properties of CID 90056447?
CID 90056447 has a molecular weight of 380.42 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90056447 is sourced from PubChem (CID 90056447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).