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

C25H30N2O2 — CID 66896933

IUPAC(4S)-4-(1-phenylethyl)-2-[2-[(4S)-4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(c1ccccc1)[C@H]1COC(C(C)(C)C2=N[C@@H](C(C)c3ccccc3)CO2)=N1
InChIInChI=1S/C25H30N2O2/c1-17(19-11-7-5-8-12-19)21-15-28-23(26-21)25(3,4)24-27-22(16-29-24)18(2)20-13-9-6-10-14-20/h5-14,17-18,21-22H,15-16H2,1-4H3/t17?,18?,21-,22-/m1/s1
InChIKeyRDOWVUNJCCRVGP-ODMAOCJESA-N
MW390.53 g/mol
LogP5.21
Rot. Bonds6

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

(4S)-4-(1-phenylethyl)-2-[2-[(4S)-4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 66896933) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is (4S)-4-(1-phenylethyl)-2-[2-[(4S)-4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-(1-phenylethyl)-2-[2-[(4S)-4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID66896933
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name(4S)-4-(1-phenylethyl)-2-[2-[(4S)-4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(c1ccccc1)[C@H]1COC(C(C)(C)C2=N[C@@H](C(C)c3ccccc3)CO2)=N1
InChIInChI=1S/C25H30N2O2/c1-17(19-11-7-5-8-12-19)21-15-28-23(26-21)25(3,4)24-27-22(16-29-24)18(2)20-13-9-6-10-14-20/h5-14,17-18,21-22H,15-16H2,1-4H3/t17?,18?,21-,22-/m1/s1
InChIKeyRDOWVUNJCCRVGP-ODMAOCJESA-N
XLogP5.21
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S,S)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
CID 676388
Ph-box, (R,R)-
CID 676390
(S,S)-4,4'-Dibenzyl-2,2'-bi(2-oxazoline)
CID 697622
(S,S)-2,2'-Methylenebis(4-phenyl-2-oxazoline)
CID 736684
(+)-2,2'-Isopropylidenebis[(4R)-4-benzyl-2-oxazoline]
CID 10981320
(4S,4'S)-2,2'-(Pentane-3,3'-diyl)bis(4-benzyl-4,5-dihydrooxazole)
CID 10960121
2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 3957686
rel-(R,S)-4,4'-DiBenzyl-4,4',5,5'-tetrahydro-2,2'-bioxazole
CID 697917
4,4'-DiBenzyl-4,4',5,5'-tetrahydro-2,2'-bioxazole
CID 3782418
(4S)-4-phenyl-2-[4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]nonyl]-4,5-dihydro-1,3-oxazole
CID 122221308
(4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-bis(4-fluorophenyl)propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 134961036
(4S)-2-[(4S)-4-benzyl(1,3-oxazolin-2-yl)]-4-benzyl-1,3-oxazoline
CID 6732838

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1-phenylethyl)-2-[2-[(4S)-4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-(1-phenylethyl)-2-[2-[(4S)-4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole (CID 66896933) is (4S)-4-(1-phenylethyl)-2-[2-[(4S)-4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-(1-phenylethyl)-2-[2-[(4S)-4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-(1-phenylethyl)-2-[2-[(4S)-4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole is CC(c1ccccc1)[C@H]1COC(C(C)(C)C2=N[C@@H](C(C)c3ccccc3)CO2)=N1.
What is the InChIKey of (4S)-4-(1-phenylethyl)-2-[2-[(4S)-4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is RDOWVUNJCCRVGP-ODMAOCJESA-N. The full InChI is InChI=1S/C25H30N2O2/c1-17(19-11-7-5-8-12-19)21-15-28-23(26-21)25(3,4)24-27-22(16-29-24)18(2)20-13-9-6-10-14-20/h5-14,17-18,21-22H,15-16H2,1-4H3/t17?,18?,21-,22-/m1/s1.
What are the key properties of (4S)-4-(1-phenylethyl)-2-[2-[(4S)-4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole?
(4S)-4-(1-phenylethyl)-2-[2-[(4S)-4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 390.53 g/mol, XLogP of 5.21, 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-[2-[(4S)-4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 66896933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).