(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

C29H26N2O2 — CID 10982944

IUPAC(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
SMILESCC(C)(C1=N[C@@H](c2cccc3ccccc23)CO1)C1=N[C@@H](c2cccc3ccccc23)CO1
InChIInChI=1S/C29H26N2O2/c1-29(2,27-30-25(17-32-27)23-15-7-11-19-9-3-5-13-21(19)23)28-31-26(18-33-28)24-16-8-12-20-10-4-6-14-22(20)24/h3-16,25-26H,17-18H2,1-2H3/t25-,26-/m1/s1
InChIKeySGLCAPGNLHZJCM-CLJLJLNGSA-N
MW434.54 g/mol
LogP6.66
Rot. Bonds4

About (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

(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 (PubChem CID 10982944) has the molecular formula C29H26N2O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID10982944
Molecular FormulaC29H26N2O2
Molecular Weight434.54 g/mol
Exact Mass434.20
IUPAC Name(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
SMILESCC(C)(C1=N[C@@H](c2cccc3ccccc23)CO1)C1=N[C@@H](c2cccc3ccccc23)CO1
InChIInChI=1S/C29H26N2O2/c1-29(2,27-30-25(17-32-27)23-15-7-11-19-9-3-5-13-21(19)23)28-31-26(18-33-28)24-16-8-12-20-10-4-6-14-22(20)24/h3-16,25-26H,17-18H2,1-2H3/t25-,26-/m1/s1
InChIKeySGLCAPGNLHZJCM-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-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 with MolForge

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Related Compounds

(S,S)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
CID 676388
Ph-box, (R,R)-
CID 676390
(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
2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 3957686
(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'-(Pentane-3,3-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 11365135
(r)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
CID 57348696
(s)-(-)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
CID 69431664
(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
rel-(S)-4-Phenyl-2-(2-((R)-4-phenyl-4,5-dihydrooxazol-2-yl)propan-2-yl)-4,5-dihydrooxazole
CID 676389

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)(C1=N[C@@H](c2cccc3ccccc23)CO1)C1=N[C@@H](c2cccc3ccccc23)CO1.
What is the InChIKey of (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?
The InChIKey is SGLCAPGNLHZJCM-CLJLJLNGSA-N. The full InChI is InChI=1S/C29H26N2O2/c1-29(2,27-30-25(17-32-27)23-15-7-11-19-9-3-5-13-21(19)23)28-31-26(18-33-28)24-16-8-12-20-10-4-6-14-22(20)24/h3-16,25-26H,17-18H2,1-2H3/t25-,26-/m1/s1.
What are the key properties of (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?
(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 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-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 is sourced from PubChem (CID 10982944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).