(4S)-4-benzyl-2-[6-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole

C30H26N4O2 — CID 146013653

IUPAC(4S)-4-benzyl-2-[6-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C[C@H]2COC(c3cccc(-c4cccc(C5=N[C@@H](Cc6ccccc6)CO5)n4)n3)=N2)cc1
InChIInChI=1S/C30H26N4O2/c1-3-9-21(10-4-1)17-23-19-35-29(31-23)27-15-7-13-25(33-27)26-14-8-16-28(34-26)30-32-24(20-36-30)18-22-11-5-2-6-12-22/h1-16,23-24H,17-20H2/t23-,24-/m0/s1
InChIKeyBGOXNFZGFWMHTG-ZEQRLZLVSA-N
MW474.56 g/mol
LogP4.92
Rot. Bonds7

About (4S)-4-benzyl-2-[6-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole

(4S)-4-benzyl-2-[6-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole (PubChem CID 146013653) has the molecular formula C30H26N4O2 and a molecular weight of 474.56 g/mol. Its IUPAC name is (4S)-4-benzyl-2-[6-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-benzyl-2-[6-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
PubChem CID146013653
Molecular FormulaC30H26N4O2
Molecular Weight474.56 g/mol
Exact Mass474.21
IUPAC Name(4S)-4-benzyl-2-[6-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C[C@H]2COC(c3cccc(-c4cccc(C5=N[C@@H](Cc6ccccc6)CO5)n4)n3)=N2)cc1
InChIInChI=1S/C30H26N4O2/c1-3-9-21(10-4-1)17-23-19-35-29(31-23)27-15-7-13-25(33-27)26-14-8-16-28(34-26)30-32-24(20-36-30)18-22-11-5-2-6-12-22/h1-16,23-24H,17-20H2/t23-,24-/m0/s1
InChIKeyBGOXNFZGFWMHTG-ZEQRLZLVSA-N
XLogP4.92
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4S)-4-benzyl-2-[6-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-2-[6-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-benzyl-2-[6-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole (CID 146013653) is (4S)-4-benzyl-2-[6-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-benzyl-2-[6-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-benzyl-2-[6-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole is c1ccc(C[C@H]2COC(c3cccc(-c4cccc(C5=N[C@@H](Cc6ccccc6)CO5)n4)n3)=N2)cc1.
What is the InChIKey of (4S)-4-benzyl-2-[6-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is BGOXNFZGFWMHTG-ZEQRLZLVSA-N. The full InChI is InChI=1S/C30H26N4O2/c1-3-9-21(10-4-1)17-23-19-35-29(31-23)27-15-7-13-25(33-27)26-14-8-16-28(34-26)30-32-24(20-36-30)18-22-11-5-2-6-12-22/h1-16,23-24H,17-20H2/t23-,24-/m0/s1.
What are the key properties of (4S)-4-benzyl-2-[6-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-benzyl-2-[6-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 474.56 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-2-[6-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 146013653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).