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

C38H28N2O2 — CID 10325111

IUPAC(4S)-4-phenyl-2-[1-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@H]2COC(c3ccc4ccccc4c3-c3c(C4=N[C@@H](c5ccccc5)CO4)ccc4ccccc34)=N2)cc1
InChIInChI=1S/C38H28N2O2/c1-3-13-27(14-4-1)33-23-41-37(39-33)31-21-19-25-11-7-9-17-29(25)35(31)36-30-18-10-8-12-26(30)20-22-32(36)38-40-34(24-42-38)28-15-5-2-6-16-28/h1-22,33-34H,23-24H2/t33-,34-/m1/s1
InChIKeyQAEMDACRMMNKPF-KKLWWLSJSA-N
MW544.65 g/mol
LogP8.70
Rot. Bonds5

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

(4S)-4-phenyl-2-[1-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 10325111) has the molecular formula C38H28N2O2 and a molecular weight of 544.65 g/mol. Its IUPAC name is (4S)-4-phenyl-2-[1-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-phenyl-2-[1-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID10325111
Molecular FormulaC38H28N2O2
Molecular Weight544.65 g/mol
Exact Mass544.22
IUPAC Name(4S)-4-phenyl-2-[1-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@H]2COC(c3ccc4ccccc4c3-c3c(C4=N[C@@H](c5ccccc5)CO4)ccc4ccccc34)=N2)cc1
InChIInChI=1S/C38H28N2O2/c1-3-13-27(14-4-1)33-23-41-37(39-33)31-21-19-25-11-7-9-17-29(25)35(31)36-30-18-10-8-12-26(30)20-22-32(36)38-40-34(24-42-38)28-15-5-2-6-16-28/h1-22,33-34H,23-24H2/t33-,34-/m1/s1
InChIKeyQAEMDACRMMNKPF-KKLWWLSJSA-N
XLogP8.70
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.65
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyl-2-[1-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-phenyl-2-[1-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole (CID 10325111) is (4S)-4-phenyl-2-[1-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-phenyl-2-[1-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-phenyl-2-[1-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole is c1ccc([C@H]2COC(c3ccc4ccccc4c3-c3c(C4=N[C@@H](c5ccccc5)CO4)ccc4ccccc34)=N2)cc1.
What is the InChIKey of (4S)-4-phenyl-2-[1-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is QAEMDACRMMNKPF-KKLWWLSJSA-N. The full InChI is InChI=1S/C38H28N2O2/c1-3-13-27(14-4-1)33-23-41-37(39-33)31-21-19-25-11-7-9-17-29(25)35(31)36-30-18-10-8-12-26(30)20-22-32(36)38-40-34(24-42-38)28-15-5-2-6-16-28/h1-22,33-34H,23-24H2/t33-,34-/m1/s1.
What are the key properties of (4S)-4-phenyl-2-[1-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole?
(4S)-4-phenyl-2-[1-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 544.65 g/mol, XLogP of 8.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenyl-2-[1-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10325111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).