2-[2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl)-1,3-bis(3,5-ditert-butylphenyl)propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole

C51H62N2O2 — CID 78165333

IUPAC2-[2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl)-1,3-bis(3,5-ditert-butylphenyl)propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
SMILESCC(C)(C)c1cc(CC(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2)(C2=NC3c4ccccc4CC3O2)C2=NC3c4ccccc4CC3O2)cc(C(C)(C)C)c1
InChIInChI=1S/C51H62N2O2/c1-47(2,3)35-21-31(22-36(27-35)48(4,5)6)29-51(45-52-43-39-19-15-13-17-33(39)25-41(43)54-45,46-53-44-40-20-16-14-18-34(40)26-42(44)55-46)30-32-23-37(49(7,8)9)28-38(24-32)50(10,11)12/h13-24,27-28,41-44H,25-26,29-30H2,1-12H3
InChIKeyWVVLVBHMBBXGQX-UHFFFAOYSA-N
MW735.07 g/mol
LogP11.84
Rot. Bonds6

About 2-[2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl)-1,3-bis(3,5-ditert-butylphenyl)propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole

2-[2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl)-1,3-bis(3,5-ditert-butylphenyl)propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole (PubChem CID 78165333) has the molecular formula C51H62N2O2 and a molecular weight of 735.07 g/mol. Its IUPAC name is 2-[2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl)-1,3-bis(3,5-ditert-butylphenyl)propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole.

Molecular Properties

Compound Name2-[2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl)-1,3-bis(3,5-ditert-butylphenyl)propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
PubChem CID78165333
Molecular FormulaC51H62N2O2
Molecular Weight735.07 g/mol
Exact Mass734.48
IUPAC Name2-[2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl)-1,3-bis(3,5-ditert-butylphenyl)propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
SMILESCC(C)(C)c1cc(CC(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2)(C2=NC3c4ccccc4CC3O2)C2=NC3c4ccccc4CC3O2)cc(C(C)(C)C)c1
InChIInChI=1S/C51H62N2O2/c1-47(2,3)35-21-31(22-36(27-35)48(4,5)6)29-51(45-52-43-39-19-15-13-17-33(39)25-41(43)54-45,46-53-44-40-20-16-14-18-34(40)26-42(44)55-46)30-32-23-37(49(7,8)9)28-38(24-32)50(10,11)12/h13-24,27-28,41-44H,25-26,29-30H2,1-12H3
InChIKeyWVVLVBHMBBXGQX-UHFFFAOYSA-N
XLogP11.84
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.07
LogP ≤ 511.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl)-1,3-bis(3,5-ditert-butylphenyl)propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole with MolForge

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Related Compounds

(3aR,8bS)-2-[2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-1-(3-tert-butyl-5-methylphenyl)-3-(3,5-ditert-butylphenyl)propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 165044200
(3aR,8bS)-2-[2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-1,3-bis(2,4-ditert-butylphenyl)propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 164887231
(3aS,8bR)-2-[1,2-bis[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 53235750
(3aR,8bS)-2-[2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-1,3-bis[4-(1-adamantyl)phenyl]propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 162639789
2-(trichloromethyl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 164678493
(3aR,8bS)-2-[2-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 101449852
benzyl 3,3-bis[(3aR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]butanoate
CID 166447309
(3aR,9bS)-2-[2-[(3aR,9bS)-3a,4,5,9b-tetrahydrobenzo[e][1,3]benzoxazol-2-yl]propan-2-yl]-3a,4,5,9b-tetrahydrobenzo[e][1,3]benzoxazole
CID 102065765
(3aS,8bR)-2-bromo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 24767136
(3aR,8bS)-2-[2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]phenyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 10949221
(3aR,8bS)-2-[2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-1-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole;nickel(2+);oxolane;diperchlorate
CID 139121160
2-[1-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclopropyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 134939542

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl)-1,3-bis(3,5-ditert-butylphenyl)propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
The IUPAC name of 2-[2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl)-1,3-bis(3,5-ditert-butylphenyl)propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole (CID 78165333) is 2-[2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl)-1,3-bis(3,5-ditert-butylphenyl)propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole.
What is the SMILES notation for 2-[2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl)-1,3-bis(3,5-ditert-butylphenyl)propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
The canonical SMILES for 2-[2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl)-1,3-bis(3,5-ditert-butylphenyl)propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole is CC(C)(C)c1cc(CC(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2)(C2=NC3c4ccccc4CC3O2)C2=NC3c4ccccc4CC3O2)cc(C(C)(C)C)c1.
What is the InChIKey of 2-[2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl)-1,3-bis(3,5-ditert-butylphenyl)propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
The InChIKey is WVVLVBHMBBXGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H62N2O2/c1-47(2,3)35-21-31(22-36(27-35)48(4,5)6)29-51(45-52-43-39-19-15-13-17-33(39)25-41(43)54-45,46-53-44-40-20-16-14-18-34(40)26-42(44)55-46)30-32-23-37(49(7,8)9)28-38(24-32)50(10,11)12/h13-24,27-28,41-44H,25-26,29-30H2,1-12H3.
What are the key properties of 2-[2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl)-1,3-bis(3,5-ditert-butylphenyl)propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
2-[2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl)-1,3-bis(3,5-ditert-butylphenyl)propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole has a molecular weight of 735.07 g/mol, XLogP of 11.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl)-1,3-bis(3,5-ditert-butylphenyl)propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole is sourced from PubChem (CID 78165333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).