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

C25H28N2O2 — CID 24746421

IUPAC(4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C[C@H]2COC(C3(C4=N[C@@H](Cc5ccccc5)CO4)CCCC3)=N2)cc1
InChIInChI=1S/C25H28N2O2/c1-3-9-19(10-4-1)15-21-17-28-23(26-21)25(13-7-8-14-25)24-27-22(18-29-24)16-20-11-5-2-6-12-20/h1-6,9-12,21-22H,7-8,13-18H2/t21-,22-/m0/s1
InChIKeyRSBSWYBZVIWBOP-VXKWHMMOSA-N
MW388.51 g/mol
LogP4.63
Rot. Bonds6

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

(4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole (PubChem CID 24746421) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is (4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole
PubChem CID24746421
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name(4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C[C@H]2COC(C3(C4=N[C@@H](Cc5ccccc5)CO4)CCCC3)=N2)cc1
InChIInChI=1S/C25H28N2O2/c1-3-9-19(10-4-1)15-21-17-28-23(26-21)25(13-7-8-14-25)24-27-22(18-29-24)16-20-11-5-2-6-12-20/h1-6,9-12,21-22H,7-8,13-18H2/t21-,22-/m0/s1
InChIKeyRSBSWYBZVIWBOP-VXKWHMMOSA-N
XLogP4.63
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole (CID 24746421) is (4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole is c1ccc(C[C@H]2COC(C3(C4=N[C@@H](Cc5ccccc5)CO4)CCCC3)=N2)cc1.
What is the InChIKey of (4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is RSBSWYBZVIWBOP-VXKWHMMOSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-3-9-19(10-4-1)15-21-17-28-23(26-21)25(13-7-8-14-25)24-27-22(18-29-24)16-20-11-5-2-6-12-20/h1-6,9-12,21-22H,7-8,13-18H2/t21-,22-/m0/s1.
What are the key properties of (4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 388.51 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 24746421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).