(4S)-4-propan-2-yl-2-[8-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anthracen-1-yl]-4,5-dihydro-1,3-oxazole

C26H28N2O2 — CID 11350119

IUPAC(4S)-4-propan-2-yl-2-[8-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anthracen-1-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(c2cccc3cc4cccc(C5=N[C@@H](C(C)C)CO5)c4cc23)=N1
InChIInChI=1S/C26H28N2O2/c1-15(2)23-13-29-25(27-23)19-9-5-7-17-11-18-8-6-10-20(22(18)12-21(17)19)26-28-24(14-30-26)16(3)4/h5-12,15-16,23-24H,13-14H2,1-4H3/t23-,24-/m1/s1
InChIKeySHRHAULOQSTWBY-DNQXCXABSA-N
MW400.52 g/mol
LogP5.60
Rot. Bonds4

About (4S)-4-propan-2-yl-2-[8-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anthracen-1-yl]-4,5-dihydro-1,3-oxazole

(4S)-4-propan-2-yl-2-[8-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anthracen-1-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 11350119) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-2-[8-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anthracen-1-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-2-[8-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anthracen-1-yl]-4,5-dihydro-1,3-oxazole
PubChem CID11350119
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name(4S)-4-propan-2-yl-2-[8-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anthracen-1-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(c2cccc3cc4cccc(C5=N[C@@H](C(C)C)CO5)c4cc23)=N1
InChIInChI=1S/C26H28N2O2/c1-15(2)23-13-29-25(27-23)19-9-5-7-17-11-18-8-6-10-20(22(18)12-21(17)19)26-28-24(14-30-26)16(3)4/h5-12,15-16,23-24H,13-14H2,1-4H3/t23-,24-/m1/s1
InChIKeySHRHAULOQSTWBY-DNQXCXABSA-N
XLogP5.60
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-2-[8-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anthracen-1-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-propan-2-yl-2-[8-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anthracen-1-yl]-4,5-dihydro-1,3-oxazole (CID 11350119) is (4S)-4-propan-2-yl-2-[8-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anthracen-1-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-propan-2-yl-2-[8-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anthracen-1-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-propan-2-yl-2-[8-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anthracen-1-yl]-4,5-dihydro-1,3-oxazole is CC(C)[C@H]1COC(c2cccc3cc4cccc(C5=N[C@@H](C(C)C)CO5)c4cc23)=N1.
What is the InChIKey of (4S)-4-propan-2-yl-2-[8-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anthracen-1-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is SHRHAULOQSTWBY-DNQXCXABSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-15(2)23-13-29-25(27-23)19-9-5-7-17-11-18-8-6-10-20(22(18)12-21(17)19)26-28-24(14-30-26)16(3)4/h5-12,15-16,23-24H,13-14H2,1-4H3/t23-,24-/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-2-[8-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anthracen-1-yl]-4,5-dihydro-1,3-oxazole?
(4S)-4-propan-2-yl-2-[8-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anthracen-1-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 400.52 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-2-[8-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anthracen-1-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11350119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).