(4S)-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4-[(4S)-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole

C30H40N2O2 — CID 66553847

IUPAC(4S)-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4-[(4S)-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)Cc1ccc([C@H](C)C2=N[C@@H]([C@H]3COC([C@@H](C)c4ccc(CC(C)C)cc4)=N3)CO2)cc1
InChIInChI=1S/C30H40N2O2/c1-19(2)15-23-7-11-25(12-8-23)21(5)29-31-27(17-33-29)28-18-34-30(32-28)22(6)26-13-9-24(10-14-26)16-20(3)4/h7-14,19-22,27-28H,15-18H2,1-6H3/t21-,22-,27+,28+/m0/s1
InChIKeyVZFDNDSCKACSSM-SHRQFBHGSA-N
MW460.66 g/mol
LogP6.59
Rot. Bonds9

About (4S)-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4-[(4S)-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole

(4S)-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4-[(4S)-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 66553847) has the molecular formula C30H40N2O2 and a molecular weight of 460.66 g/mol. Its IUPAC name is (4S)-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4-[(4S)-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4-[(4S)-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole
PubChem CID66553847
Molecular FormulaC30H40N2O2
Molecular Weight460.66 g/mol
Exact Mass460.31
IUPAC Name(4S)-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4-[(4S)-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)Cc1ccc([C@H](C)C2=N[C@@H]([C@H]3COC([C@@H](C)c4ccc(CC(C)C)cc4)=N3)CO2)cc1
InChIInChI=1S/C30H40N2O2/c1-19(2)15-23-7-11-25(12-8-23)21(5)29-31-27(17-33-29)28-18-34-30(32-28)22(6)26-13-9-24(10-14-26)16-20(3)4/h7-14,19-22,27-28H,15-18H2,1-6H3/t21-,22-,27+,28+/m0/s1
InChIKeyVZFDNDSCKACSSM-SHRQFBHGSA-N
XLogP6.59
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.66
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4-[(4S)-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4,5-dihydro-1,3-oxazol-4-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 (4S)-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4-[(4S)-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4-[(4S)-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole (CID 66553847) is (4S)-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4-[(4S)-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4-[(4S)-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4-[(4S)-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole is CC(C)Cc1ccc([C@H](C)C2=N[C@@H]([C@H]3COC([C@@H](C)c4ccc(CC(C)C)cc4)=N3)CO2)cc1.
What is the InChIKey of (4S)-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4-[(4S)-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is VZFDNDSCKACSSM-SHRQFBHGSA-N. The full InChI is InChI=1S/C30H40N2O2/c1-19(2)15-23-7-11-25(12-8-23)21(5)29-31-27(17-33-29)28-18-34-30(32-28)22(6)26-13-9-24(10-14-26)16-20(3)4/h7-14,19-22,27-28H,15-18H2,1-6H3/t21-,22-,27+,28+/m0/s1.
What are the key properties of (4S)-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4-[(4S)-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole?
(4S)-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4-[(4S)-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 460.66 g/mol, XLogP of 6.59, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4-[(4S)-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 66553847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).