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

C25H28N2O2 — CID 66897389

IUPAC(4S)-4-(1-phenylethyl)-2-[1-[(4S)-4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole
SMILESCC(c1ccccc1)[C@H]1COC(C2(C3=N[C@@H](C(C)c4ccccc4)CO3)CC2)=N1
InChIInChI=1S/C25H28N2O2/c1-17(19-9-5-3-6-10-19)21-15-28-23(26-21)25(13-14-25)24-27-22(16-29-24)18(2)20-11-7-4-8-12-20/h3-12,17-18,21-22H,13-16H2,1-2H3/t17?,18?,21-,22-/m1/s1
InChIKeyXFVKPJRHRJYJLU-ODMAOCJESA-N
MW388.51 g/mol
LogP4.97
Rot. Bonds6

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

(4S)-4-(1-phenylethyl)-2-[1-[(4S)-4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole (PubChem CID 66897389) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is (4S)-4-(1-phenylethyl)-2-[1-[(4S)-4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-(1-phenylethyl)-2-[1-[(4S)-4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole
PubChem CID66897389
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name(4S)-4-(1-phenylethyl)-2-[1-[(4S)-4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole
SMILESCC(c1ccccc1)[C@H]1COC(C2(C3=N[C@@H](C(C)c4ccccc4)CO3)CC2)=N1
InChIInChI=1S/C25H28N2O2/c1-17(19-9-5-3-6-10-19)21-15-28-23(26-21)25(13-14-25)24-27-22(16-29-24)18(2)20-11-7-4-8-12-20/h3-12,17-18,21-22H,13-16H2,1-2H3/t17?,18?,21-,22-/m1/s1
InChIKeyXFVKPJRHRJYJLU-ODMAOCJESA-N
XLogP4.97
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 ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1-phenylethyl)-2-[1-[(4S)-4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-(1-phenylethyl)-2-[1-[(4S)-4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole (CID 66897389) is (4S)-4-(1-phenylethyl)-2-[1-[(4S)-4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-(1-phenylethyl)-2-[1-[(4S)-4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-(1-phenylethyl)-2-[1-[(4S)-4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole is CC(c1ccccc1)[C@H]1COC(C2(C3=N[C@@H](C(C)c4ccccc4)CO3)CC2)=N1.
What is the InChIKey of (4S)-4-(1-phenylethyl)-2-[1-[(4S)-4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is XFVKPJRHRJYJLU-ODMAOCJESA-N. The full InChI is InChI=1S/C25H28N2O2/c1-17(19-9-5-3-6-10-19)21-15-28-23(26-21)25(13-14-25)24-27-22(16-29-24)18(2)20-11-7-4-8-12-20/h3-12,17-18,21-22H,13-16H2,1-2H3/t17?,18?,21-,22-/m1/s1.
What are the key properties of (4S)-4-(1-phenylethyl)-2-[1-[(4S)-4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-(1-phenylethyl)-2-[1-[(4S)-4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 388.51 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(1-phenylethyl)-2-[1-[(4S)-4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 66897389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).