(2'R)-6'-(3-chloro-5-fluorophenyl)-2'-[(4R)-2,2-dimethyloxan-4-yl]-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine

C24H27ClFN3O3 — CID 58423883

IUPAC(2'R)-6'-(3-chloro-5-fluorophenyl)-2'-[(4R)-2,2-dimethyloxan-4-yl]-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine
SMILESCN1OC2(C[C@H]([C@@H]3CCOC(C)(C)C3)Oc3ccc(-c4cc(F)cc(Cl)c4)cc32)N=C1N
InChIInChI=1S/C24H27ClFN3O3/c1-23(2)12-15(6-7-30-23)21-13-24(28-22(27)29(3)32-24)19-10-14(4-5-20(19)31-21)16-8-17(25)11-18(26)9-16/h4-5,8-11,15,21H,6-7,12-13H2,1-3H3,(H2,27,28)/t15-,21-,24?/m1/s1
InChIKeyYWRCCMHJGXUWJO-SQXJXDNSSA-N
MW459.95 g/mol
LogP4.85
Rot. Bonds2

About (2'R)-6'-(3-chloro-5-fluorophenyl)-2'-[(4R)-2,2-dimethyloxan-4-yl]-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine

(2'R)-6'-(3-chloro-5-fluorophenyl)-2'-[(4R)-2,2-dimethyloxan-4-yl]-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine (PubChem CID 58423883) has the molecular formula C24H27ClFN3O3 and a molecular weight of 459.95 g/mol. Its IUPAC name is (2'R)-6'-(3-chloro-5-fluorophenyl)-2'-[(4R)-2,2-dimethyloxan-4-yl]-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine.

Molecular Properties

Compound Name(2'R)-6'-(3-chloro-5-fluorophenyl)-2'-[(4R)-2,2-dimethyloxan-4-yl]-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine
PubChem CID58423883
Molecular FormulaC24H27ClFN3O3
Molecular Weight459.95 g/mol
Exact Mass459.17
IUPAC Name(2'R)-6'-(3-chloro-5-fluorophenyl)-2'-[(4R)-2,2-dimethyloxan-4-yl]-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine
SMILESCN1OC2(C[C@H]([C@@H]3CCOC(C)(C)C3)Oc3ccc(-c4cc(F)cc(Cl)c4)cc32)N=C1N
InChIInChI=1S/C24H27ClFN3O3/c1-23(2)12-15(6-7-30-23)21-13-24(28-22(27)29(3)32-24)19-10-14(4-5-20(19)31-21)16-8-17(25)11-18(26)9-16/h4-5,8-11,15,21H,6-7,12-13H2,1-3H3,(H2,27,28)/t15-,21-,24?/m1/s1
InChIKeyYWRCCMHJGXUWJO-SQXJXDNSSA-N
XLogP4.85
TPSA69.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.95
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2'R)-6'-(3-chloro-5-fluorophenyl)-2'-[(4R)-2,2-dimethyloxan-4-yl]-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-amino-2'-(2,2-dimethyloxan-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-6'-yl]-5-fluorobenzonitrile
CID 58423915
5-[3-amino-2'-(2,2-dimethyloxan-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-6'-yl]benzene-1,3-dicarbonitrile
CID 58423918
3-[(2'R,5S)-3-amino-2'-(2,2-dimethyloxan-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-6'-yl]benzonitrile
CID 58424713
2'-(2,2-dimethyloxan-4-yl)-2-methyl-6'-(6-methyl-2-pyridinyl)spiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine
CID 91533809
3-[3-amino-2'-(2,2-dimethyloxan-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-6'-yl]-4-methylbenzonitrile
CID 58424742
2'-amino-2-(2,2-dimethyloxan-4-yl)-6-[3-fluoro-5-(trifluoromethyl)phenyl]-3'-methylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one
CID 58424446
6'-(3-fluorophenyl)-2-methyl-2'-(oxan-3-yl)spiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine
CID 58424020
3-[2'-amino-2-(2,2-dimethyloxan-4-yl)-1'-methyl-5'-oxospiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl]-5-chlorobenzonitrile
CID 58424038
2'-(2,2-dimethyloxan-4-yl)-6'-(2-imidazol-1-yl-1,3-thiazol-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine
CID 58424826
6'-bromo-2'-(2,2-dimethyloxan-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine;6'-(6-chloro-2-pyridinyl)-2'-(2,2-dimethyloxan-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine;2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 159783200
(4aS,10S,10aR)-2'-amino-8-(3-chloro-5-fluorophenyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one
CID 56948073
CID 56948919
CID 56948919

Frequently Asked Questions

What is the IUPAC name of (2'R)-6'-(3-chloro-5-fluorophenyl)-2'-[(4R)-2,2-dimethyloxan-4-yl]-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine?
The IUPAC name of (2'R)-6'-(3-chloro-5-fluorophenyl)-2'-[(4R)-2,2-dimethyloxan-4-yl]-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine (CID 58423883) is (2'R)-6'-(3-chloro-5-fluorophenyl)-2'-[(4R)-2,2-dimethyloxan-4-yl]-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine.
What is the SMILES notation for (2'R)-6'-(3-chloro-5-fluorophenyl)-2'-[(4R)-2,2-dimethyloxan-4-yl]-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine?
The canonical SMILES for (2'R)-6'-(3-chloro-5-fluorophenyl)-2'-[(4R)-2,2-dimethyloxan-4-yl]-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine is CN1OC2(C[C@H]([C@@H]3CCOC(C)(C)C3)Oc3ccc(-c4cc(F)cc(Cl)c4)cc32)N=C1N.
What is the InChIKey of (2'R)-6'-(3-chloro-5-fluorophenyl)-2'-[(4R)-2,2-dimethyloxan-4-yl]-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine?
The InChIKey is YWRCCMHJGXUWJO-SQXJXDNSSA-N. The full InChI is InChI=1S/C24H27ClFN3O3/c1-23(2)12-15(6-7-30-23)21-13-24(28-22(27)29(3)32-24)19-10-14(4-5-20(19)31-21)16-8-17(25)11-18(26)9-16/h4-5,8-11,15,21H,6-7,12-13H2,1-3H3,(H2,27,28)/t15-,21-,24?/m1/s1.
What are the key properties of (2'R)-6'-(3-chloro-5-fluorophenyl)-2'-[(4R)-2,2-dimethyloxan-4-yl]-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine?
(2'R)-6'-(3-chloro-5-fluorophenyl)-2'-[(4R)-2,2-dimethyloxan-4-yl]-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine has a molecular weight of 459.95 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R)-6'-(3-chloro-5-fluorophenyl)-2'-[(4R)-2,2-dimethyloxan-4-yl]-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine is sourced from PubChem (CID 58423883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).