(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dihydrophenalen-2-yl]-4,5-dihydro-1,3-oxazole

C31H26N2O2 — CID 45258310

IUPAC(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dihydrophenalen-2-yl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@@H]2COC(C3(C4=N[C@H](c5ccccc5)CO4)Cc4cccc5cccc(c45)C3)=N2)cc1
InChIInChI=1S/C31H26N2O2/c1-3-9-21(10-4-1)26-19-34-29(32-26)31(30-33-27(20-35-30)22-11-5-2-6-12-22)17-24-15-7-13-23-14-8-16-25(18-31)28(23)24/h1-16,26-27H,17-20H2/t26-,27-/m0/s1
InChIKeyHFWGOTFVWAYEQM-SVBPBHIXSA-N
MW458.56 g/mol
LogP6.26
Rot. Bonds4

About (4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dihydrophenalen-2-yl]-4,5-dihydro-1,3-oxazole

(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dihydrophenalen-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 45258310) has the molecular formula C31H26N2O2 and a molecular weight of 458.56 g/mol. Its IUPAC name is (4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dihydrophenalen-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dihydrophenalen-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID45258310
Molecular FormulaC31H26N2O2
Molecular Weight458.56 g/mol
Exact Mass458.20
IUPAC Name(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dihydrophenalen-2-yl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@@H]2COC(C3(C4=N[C@H](c5ccccc5)CO4)Cc4cccc5cccc(c45)C3)=N2)cc1
InChIInChI=1S/C31H26N2O2/c1-3-9-21(10-4-1)26-19-34-29(32-26)31(30-33-27(20-35-30)22-11-5-2-6-12-22)17-24-15-7-13-23-14-8-16-25(18-31)28(23)24/h1-16,26-27H,17-20H2/t26-,27-/m0/s1
InChIKeyHFWGOTFVWAYEQM-SVBPBHIXSA-N
XLogP6.26
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dihydrophenalen-2-yl]-4,5-dihydro-1,3-oxazole with MolForge

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Related Compounds

(4S,4'S)-2,2'-(1,3-Bis[4-(t-butyl)phenyl)propane-2,2-diyl]bis(4-phenyl-4,5-dihydrooxazole) (S)-BTBBPh-SaBOX
CID 71608540
(4S)-4-naphthalen-1-yl-2-[2-[(4S)-4-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 10982944
(4S)-4-naphthalen-2-yl-2-[2-[(4S)-4-naphthalen-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 11144576
(4S,4'S)-2,2'-(Cyclohexane-1,1-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 101340771
(4R)-4-naphthalen-1-yl-2-[2-[(4R)-4-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 101762723
(4R,4'R)-2,2'-(Cyclohexane-1,1-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 145707302
(1R)-2,2'-Bis((S)-4-phenyl-4,5-dihydrooxazol-2-yl)-1,1'-binaphthalene
CID 10325111
(S)-2,2'-Bis((S)-4-benzyl-4,5-dihydrooxazol-2-yl)-1,1'-binaphthalene
CID 15941166
(4S,5R)-2-[2-[(4S,5R)-4,5-dinaphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dinaphthalen-1-yl-4,5-dihydro-1,3-oxazole
CID 66552817
(4S)-4-phenyl-2-[[2,4,6-triethyl-3,5-bis[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole
CID 101074954
(4S,4'S)-2,2'-Bis(naphthalen-2-ylmethyl)-4,4',5,5'-tetrahydro-4,4'-bioxazole
CID 102430602
(4S,4'S)-2,2'-(Propane-2,2-diyl)bis(4-(3,5-di-tert-butylphenyl)-4,5-dihydrooxazole)
CID 102481349

Frequently Asked Questions

What is the IUPAC name of (4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dihydrophenalen-2-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dihydrophenalen-2-yl]-4,5-dihydro-1,3-oxazole (CID 45258310) is (4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dihydrophenalen-2-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dihydrophenalen-2-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dihydrophenalen-2-yl]-4,5-dihydro-1,3-oxazole is c1ccc([C@@H]2COC(C3(C4=N[C@H](c5ccccc5)CO4)Cc4cccc5cccc(c45)C3)=N2)cc1.
What is the InChIKey of (4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dihydrophenalen-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is HFWGOTFVWAYEQM-SVBPBHIXSA-N. The full InChI is InChI=1S/C31H26N2O2/c1-3-9-21(10-4-1)26-19-34-29(32-26)31(30-33-27(20-35-30)22-11-5-2-6-12-22)17-24-15-7-13-23-14-8-16-25(18-31)28(23)24/h1-16,26-27H,17-20H2/t26-,27-/m0/s1.
What are the key properties of (4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dihydrophenalen-2-yl]-4,5-dihydro-1,3-oxazole?
(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dihydrophenalen-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 458.56 g/mol, XLogP of 6.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dihydrophenalen-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 45258310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).