(4S)-2-(naphthalen-2-ylmethyl)-4-[(4S)-2-(naphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole

C28H24N2O2 — CID 102430602

IUPAC(4S)-2-(naphthalen-2-ylmethyl)-4-[(4S)-2-(naphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc2cc(CC3=N[C@@H]([C@H]4COC(Cc5ccc6ccccc6c5)=N4)CO3)ccc2c1
InChIInChI=1S/C28H24N2O2/c1-3-7-23-13-19(9-11-21(23)5-1)15-27-29-25(17-31-27)26-18-32-28(30-26)16-20-10-12-22-6-2-4-8-24(22)14-20/h1-14,25-26H,15-18H2/t25-,26-/m1/s1
InChIKeyPDOFXSOSTHWKJB-CLJLJLNGSA-N
MW420.51 g/mol
LogP5.37
Rot. Bonds5

About (4S)-2-(naphthalen-2-ylmethyl)-4-[(4S)-2-(naphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole

(4S)-2-(naphthalen-2-ylmethyl)-4-[(4S)-2-(naphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 102430602) has the molecular formula C28H24N2O2 and a molecular weight of 420.51 g/mol. Its IUPAC name is (4S)-2-(naphthalen-2-ylmethyl)-4-[(4S)-2-(naphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-(naphthalen-2-ylmethyl)-4-[(4S)-2-(naphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole
PubChem CID102430602
Molecular FormulaC28H24N2O2
Molecular Weight420.51 g/mol
Exact Mass420.18
IUPAC Name(4S)-2-(naphthalen-2-ylmethyl)-4-[(4S)-2-(naphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc2cc(CC3=N[C@@H]([C@H]4COC(Cc5ccc6ccccc6c5)=N4)CO3)ccc2c1
InChIInChI=1S/C28H24N2O2/c1-3-7-23-13-19(9-11-21(23)5-1)15-27-29-25(17-31-27)26-18-32-28(30-26)16-20-10-12-22-6-2-4-8-24(22)14-20/h1-14,25-26H,15-18H2/t25-,26-/m1/s1
InChIKeyPDOFXSOSTHWKJB-CLJLJLNGSA-N
XLogP5.37
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-2-(naphthalen-2-ylmethyl)-4-[(4S)-2-(naphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(naphthalen-2-ylmethyl)-4-[(4S)-2-(naphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-(naphthalen-2-ylmethyl)-4-[(4S)-2-(naphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole (CID 102430602) is (4S)-2-(naphthalen-2-ylmethyl)-4-[(4S)-2-(naphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-(naphthalen-2-ylmethyl)-4-[(4S)-2-(naphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-(naphthalen-2-ylmethyl)-4-[(4S)-2-(naphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole is c1ccc2cc(CC3=N[C@@H]([C@H]4COC(Cc5ccc6ccccc6c5)=N4)CO3)ccc2c1.
What is the InChIKey of (4S)-2-(naphthalen-2-ylmethyl)-4-[(4S)-2-(naphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is PDOFXSOSTHWKJB-CLJLJLNGSA-N. The full InChI is InChI=1S/C28H24N2O2/c1-3-7-23-13-19(9-11-21(23)5-1)15-27-29-25(17-31-27)26-18-32-28(30-26)16-20-10-12-22-6-2-4-8-24(22)14-20/h1-14,25-26H,15-18H2/t25-,26-/m1/s1.
What are the key properties of (4S)-2-(naphthalen-2-ylmethyl)-4-[(4S)-2-(naphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole?
(4S)-2-(naphthalen-2-ylmethyl)-4-[(4S)-2-(naphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 420.51 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(naphthalen-2-ylmethyl)-4-[(4S)-2-(naphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 102430602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).