(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

C29H26N2O2 — CID 11144576

IUPAC(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
SMILESCC(C)(C1=N[C@@H](c2ccc3ccccc3c2)CO1)C1=N[C@@H](c2ccc3ccccc3c2)CO1
InChIInChI=1S/C29H26N2O2/c1-29(2,27-30-25(17-32-27)23-13-11-19-7-3-5-9-21(19)15-23)28-31-26(18-33-28)24-14-12-20-8-4-6-10-22(20)16-24/h3-16,25-26H,17-18H2,1-2H3/t25-,26-/m1/s1
InChIKeyMCKBGBZVDYLRKP-CLJLJLNGSA-N
MW434.54 g/mol
LogP6.66
Rot. Bonds4

About (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

(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 (PubChem CID 11144576) has the molecular formula C29H26N2O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID11144576
Molecular FormulaC29H26N2O2
Molecular Weight434.54 g/mol
Exact Mass434.20
IUPAC Name(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
SMILESCC(C)(C1=N[C@@H](c2ccc3ccccc3c2)CO1)C1=N[C@@H](c2ccc3ccccc3c2)CO1
InChIInChI=1S/C29H26N2O2/c1-29(2,27-30-25(17-32-27)23-13-11-19-7-3-5-9-21(19)15-23)28-31-26(18-33-28)24-14-12-20-8-4-6-10-22(20)16-24/h3-16,25-26H,17-18H2,1-2H3/t25-,26-/m1/s1
InChIKeyMCKBGBZVDYLRKP-CLJLJLNGSA-N
XLogP6.66
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (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 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'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
2-(2,6-Difluorophenyl)-4-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1,3-oxazole
CID 19080122
(1R)-2,2'-Bis((S)-4-phenyl-4,5-dihydrooxazol-2-yl)-1,1'-binaphthalene
CID 10325111
(4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylnaphthalen-1-yl]-7-methylnaphthalen-1-yl]-4,5-dihydro-1,3-oxazole
CID 10578195
(4S)-2-[3-methyl-2-[2-methyl-6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 10648130
2-(Naphthalen-2-yl)-4-phenyl-4,5-dihydrooxazole
CID 14919449
(S)-2,2'-Bis((S)-4-benzyl-4,5-dihydrooxazol-2-yl)-1,1'-binaphthalene
CID 15941166
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)(C1=N[C@@H](c2ccc3ccccc3c2)CO1)C1=N[C@@H](c2ccc3ccccc3c2)CO1.
What is the InChIKey of (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?
The InChIKey is MCKBGBZVDYLRKP-CLJLJLNGSA-N. The full InChI is InChI=1S/C29H26N2O2/c1-29(2,27-30-25(17-32-27)23-13-11-19-7-3-5-9-21(19)15-23)28-31-26(18-33-28)24-14-12-20-8-4-6-10-22(20)16-24/h3-16,25-26H,17-18H2,1-2H3/t25-,26-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 434.54 g/mol, XLogP of 6.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 11144576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).