(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

C49H38N2O2 — CID 66552817

IUPAC(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
SMILESCC(C)(C1=N[C@@H](c2cccc3ccccc23)[C@@H](c2cccc3ccccc23)O1)C1=N[C@@H](c2cccc3ccccc23)[C@@H](c2cccc3ccccc23)O1
InChIInChI=1S/C49H38N2O2/c1-49(2,47-50-43(39-27-11-19-31-15-3-7-23-35(31)39)45(52-47)41-29-13-21-33-17-5-9-25-37(33)41)48-51-44(40-28-12-20-32-16-4-8-24-36(32)40)46(53-48)42-30-14-22-34-18-6-10-26-38(34)42/h3-30,43-46H,1-2H3/t43-,44-,45+,46+/m0/s1
InChIKeyLODZFKNWMUIBEF-LZCGGXSTSA-N
MW686.86 g/mol
LogP12.45
Rot. Bonds6

About (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

(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 (PubChem CID 66552817) has the molecular formula C49H38N2O2 and a molecular weight of 686.86 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID66552817
Molecular FormulaC49H38N2O2
Molecular Weight686.86 g/mol
Exact Mass686.29
IUPAC Name(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
SMILESCC(C)(C1=N[C@@H](c2cccc3ccccc23)[C@@H](c2cccc3ccccc23)O1)C1=N[C@@H](c2cccc3ccccc23)[C@@H](c2cccc3ccccc23)O1
InChIInChI=1S/C49H38N2O2/c1-49(2,47-50-43(39-27-11-19-31-15-3-7-23-35(31)39)45(52-47)41-29-13-21-33-17-5-9-25-37(33)41)48-51-44(40-28-12-20-32-16-4-8-24-36(32)40)46(53-48)42-30-14-22-34-18-6-10-26-38(34)42/h3-30,43-46H,1-2H3/t43-,44-,45+,46+/m0/s1
InChIKeyLODZFKNWMUIBEF-LZCGGXSTSA-N
XLogP12.45
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.86
LogP ≤ 512.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

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Related Compounds

(4R,5R)-2-tert-butyl-N-methyl-5-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxamide
CID 101351737
(4R,5R)-2-[2-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 10972956
3-methyl-2-naphthalen-1-yl-2H-azirine
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4-tert-butyl-5-naphthalen-1-yl-5H-1,3-oxazol-2-one
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tert-butyl (4R,5S)-5-naphthalen-1-yl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 102253036
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2-methyl-4-naphthalen-1-yl-4,5-dihydro-1,3-oxazole
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2,2-dimethyl-3-naphthalen-1-yloxirane
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2-naphthalen-1-yl-1,3-dioxole
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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)(C1=N[C@@H](c2cccc3ccccc23)[C@@H](c2cccc3ccccc23)O1)C1=N[C@@H](c2cccc3ccccc23)[C@@H](c2cccc3ccccc23)O1.
What is the InChIKey of (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?
The InChIKey is LODZFKNWMUIBEF-LZCGGXSTSA-N. The full InChI is InChI=1S/C49H38N2O2/c1-49(2,47-50-43(39-27-11-19-31-15-3-7-23-35(31)39)45(52-47)41-29-13-21-33-17-5-9-25-37(33)41)48-51-44(40-28-12-20-32-16-4-8-24-36(32)40)46(53-48)42-30-14-22-34-18-6-10-26-38(34)42/h3-30,43-46H,1-2H3/t43-,44-,45+,46+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 686.86 g/mol, XLogP of 12.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 66552817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).