(4S)-4-tert-butyl-2-[8'-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-4,5-dihydro-1,3-oxazole

C37H50N2O4 — CID 102288659

IUPAC(4S)-4-tert-butyl-2-[8'-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-4,5-dihydro-1,3-oxazole
SMILESCc1cc(C2=N[C@@H](C(C)(C)C)CO2)c2c(c1)C(C)(C)CC1(CC(C)(C)c3cc(C)cc(C4=N[C@@H](C(C)(C)C)CO4)c3O1)O2
InChIInChI=1S/C37H50N2O4/c1-21-13-23(31-38-27(17-40-31)33(3,4)5)29-25(15-21)35(9,10)19-37(42-29)20-36(11,12)26-16-22(2)14-24(30(26)43-37)32-39-28(18-41-32)34(6,7)8/h13-16,27-28H,17-20H2,1-12H3/t27-,28-,37?/m1/s1
InChIKeyXMUQLEOYIAEFPO-VERPGQOZSA-N
MW586.82 g/mol
LogP8.20
Rot. Bonds2

About (4S)-4-tert-butyl-2-[8'-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-4,5-dihydro-1,3-oxazole

(4S)-4-tert-butyl-2-[8'-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 102288659) has the molecular formula C37H50N2O4 and a molecular weight of 586.82 g/mol. Its IUPAC name is (4S)-4-tert-butyl-2-[8'-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-tert-butyl-2-[8'-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-4,5-dihydro-1,3-oxazole
PubChem CID102288659
Molecular FormulaC37H50N2O4
Molecular Weight586.82 g/mol
Exact Mass586.38
IUPAC Name(4S)-4-tert-butyl-2-[8'-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-4,5-dihydro-1,3-oxazole
SMILESCc1cc(C2=N[C@@H](C(C)(C)C)CO2)c2c(c1)C(C)(C)CC1(CC(C)(C)c3cc(C)cc(C4=N[C@@H](C(C)(C)C)CO4)c3O1)O2
InChIInChI=1S/C37H50N2O4/c1-21-13-23(31-38-27(17-40-31)33(3,4)5)29-25(15-21)35(9,10)19-37(42-29)20-36(11,12)26-16-22(2)14-24(30(26)43-37)32-39-28(18-41-32)34(6,7)8/h13-16,27-28H,17-20H2,1-12H3/t27-,28-,37?/m1/s1
InChIKeyXMUQLEOYIAEFPO-VERPGQOZSA-N
XLogP8.20
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.82
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4S)-4-tert-butyl-2-[8'-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-4,5-dihydro-1,3-oxazole with MolForge

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Launch Full Analysis

Related Compounds

ditert-butyl-(8'-ditert-butylphosphanyl-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl)phosphane
CID 127262821
(4S)-2-[2-[2,6-bis[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-tert-butyl-4,5-dihydro-1,3-oxazole
CID 23727304
[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-bis(2,4,6-trimethylphenyl)phosphane
CID 53380990
5-[4,4,4',4',6,6'-hexamethyl-8'-(5-oxobenzo[b]phosphindol-5-yl)-2,2'-spirobi[3H-chromene]-8-yl]benzo[b]phosphindole 5-oxide
CID 66556665
[(3R)-4'-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4-yl]-diphenylphosphane
CID 156656687
4-tert-butyl-2-[3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
CID 15447611
(4R)-2-[2-bromo-5-(trifluoromethyl)phenyl]-4-tert-butyl-4,5-dihydro-1,3-oxazole
CID 139264038
2-(2-bromophenyl)-4-tert-butyl-4,5-dihydro-1,3-oxazole
CID 53421125
(4R)-4-tert-butyl-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 138551066
(4S)-4-tert-butyl-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 138551003
CID 72835928
CID 72835928
8,8'-bis[di(propan-2-yl)phosphoryl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]
CID 66556836

Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-2-[8'-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-tert-butyl-2-[8'-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-4,5-dihydro-1,3-oxazole (CID 102288659) is (4S)-4-tert-butyl-2-[8'-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-tert-butyl-2-[8'-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-tert-butyl-2-[8'-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-4,5-dihydro-1,3-oxazole is Cc1cc(C2=N[C@@H](C(C)(C)C)CO2)c2c(c1)C(C)(C)CC1(CC(C)(C)c3cc(C)cc(C4=N[C@@H](C(C)(C)C)CO4)c3O1)O2.
What is the InChIKey of (4S)-4-tert-butyl-2-[8'-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is XMUQLEOYIAEFPO-VERPGQOZSA-N. The full InChI is InChI=1S/C37H50N2O4/c1-21-13-23(31-38-27(17-40-31)33(3,4)5)29-25(15-21)35(9,10)19-37(42-29)20-36(11,12)26-16-22(2)14-24(30(26)43-37)32-39-28(18-41-32)34(6,7)8/h13-16,27-28H,17-20H2,1-12H3/t27-,28-,37?/m1/s1.
What are the key properties of (4S)-4-tert-butyl-2-[8'-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-4,5-dihydro-1,3-oxazole?
(4S)-4-tert-butyl-2-[8'-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 586.82 g/mol, XLogP of 8.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-2-[8'-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 102288659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).