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

C25H30N2O2 — CID 66896935

IUPAC4-(1-phenylethyl)-2-[2-[4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(c1ccccc1)C1COC(C(C)(C)C2=NC(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
InChIKeyRDOWVUNJCCRVGP-UHFFFAOYSA-N
MW390.53 g/mol
LogP5.21
Rot. Bonds6

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

4-(1-phenylethyl)-2-[2-[4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 66896935) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 4-(1-phenylethyl)-2-[2-[4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(1-phenylethyl)-2-[2-[4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID66896935
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name4-(1-phenylethyl)-2-[2-[4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(c1ccccc1)C1COC(C(C)(C)C2=NC(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
InChIKeyRDOWVUNJCCRVGP-UHFFFAOYSA-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 4-(1-phenylethyl)-2-[2-[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

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylethyl)-2-[2-[4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(1-phenylethyl)-2-[2-[4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole (CID 66896935) is 4-(1-phenylethyl)-2-[2-[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 4-(1-phenylethyl)-2-[2-[4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(1-phenylethyl)-2-[2-[4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole is CC(c1ccccc1)C1COC(C(C)(C)C2=NC(C(C)c3ccccc3)CO2)=N1.
What is the InChIKey of 4-(1-phenylethyl)-2-[2-[4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is RDOWVUNJCCRVGP-UHFFFAOYSA-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.
What are the key properties of 4-(1-phenylethyl)-2-[2-[4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole?
4-(1-phenylethyl)-2-[2-[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 4-(1-phenylethyl)-2-[2-[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 66896935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).