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

C27H34N2O2 — CID 11258629

IUPAC(4S)-2-[1,3-diphenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(C(Cc2ccccc2)(Cc2ccccc2)C2=N[C@@H](C(C)C)CO2)=N1
InChIInChI=1S/C27H34N2O2/c1-19(2)23-17-30-25(28-23)27(15-21-11-7-5-8-12-21,16-22-13-9-6-10-14-22)26-29-24(18-31-26)20(3)4/h5-14,19-20,23-24H,15-18H2,1-4H3/t23-,24-/m1/s1
InChIKeyQGUCYRUCOLTXBV-DNQXCXABSA-N
MW418.58 g/mol
LogP5.36
Rot. Bonds8

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

(4S)-2-[1,3-diphenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 11258629) has the molecular formula C27H34N2O2 and a molecular weight of 418.58 g/mol. Its IUPAC name is (4S)-2-[1,3-diphenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-[1,3-diphenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID11258629
Molecular FormulaC27H34N2O2
Molecular Weight418.58 g/mol
Exact Mass418.26
IUPAC Name(4S)-2-[1,3-diphenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(C(Cc2ccccc2)(Cc2ccccc2)C2=N[C@@H](C(C)C)CO2)=N1
InChIInChI=1S/C27H34N2O2/c1-19(2)23-17-30-25(28-23)27(15-21-11-7-5-8-12-21,16-22-13-9-6-10-14-22)26-29-24(18-31-26)20(3)4/h5-14,19-20,23-24H,15-18H2,1-4H3/t23-,24-/m1/s1
InChIKeyQGUCYRUCOLTXBV-DNQXCXABSA-N
XLogP5.36
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.58
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-[1,3-diphenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-[1,3-diphenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 11258629) is (4S)-2-[1,3-diphenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-[1,3-diphenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-[1,3-diphenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is CC(C)[C@H]1COC(C(Cc2ccccc2)(Cc2ccccc2)C2=N[C@@H](C(C)C)CO2)=N1.
What is the InChIKey of (4S)-2-[1,3-diphenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is QGUCYRUCOLTXBV-DNQXCXABSA-N. The full InChI is InChI=1S/C27H34N2O2/c1-19(2)23-17-30-25(28-23)27(15-21-11-7-5-8-12-21,16-22-13-9-6-10-14-22)26-29-24(18-31-26)20(3)4/h5-14,19-20,23-24H,15-18H2,1-4H3/t23-,24-/m1/s1.
What are the key properties of (4S)-2-[1,3-diphenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-2-[1,3-diphenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 418.58 g/mol, XLogP of 5.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[1,3-diphenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11258629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).