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

C24H26N2O2 — CID 11372252

IUPAC(4S)-4-phenyl-2-[(1S,2S)-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@H]2COC([C@H]3CCCC[C@@H]3C3=N[C@@H](c4ccccc4)CO3)=N2)cc1
InChIInChI=1S/C24H26N2O2/c1-3-9-17(10-4-1)21-15-27-23(25-21)19-13-7-8-14-20(19)24-26-22(16-28-24)18-11-5-2-6-12-18/h1-6,9-12,19-22H,7-8,13-16H2/t19-,20-,21+,22+/m0/s1
InChIKeyQDIWAJDLECILSV-FNAHDJPLSA-N
MW374.48 g/mol
LogP5.13
Rot. Bonds4

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

(4S)-4-phenyl-2-[(1S,2S)-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole (PubChem CID 11372252) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is (4S)-4-phenyl-2-[(1S,2S)-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-phenyl-2-[(1S,2S)-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole
PubChem CID11372252
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name(4S)-4-phenyl-2-[(1S,2S)-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@H]2COC([C@H]3CCCC[C@@H]3C3=N[C@@H](c4ccccc4)CO3)=N2)cc1
InChIInChI=1S/C24H26N2O2/c1-3-9-17(10-4-1)21-15-27-23(25-21)19-13-7-8-14-20(19)24-26-22(16-28-24)18-11-5-2-6-12-18/h1-6,9-12,19-22H,7-8,13-16H2/t19-,20-,21+,22+/m0/s1
InChIKeyQDIWAJDLECILSV-FNAHDJPLSA-N
XLogP5.13
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyl-2-[(1S,2S)-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-phenyl-2-[(1S,2S)-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole (CID 11372252) is (4S)-4-phenyl-2-[(1S,2S)-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-phenyl-2-[(1S,2S)-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-phenyl-2-[(1S,2S)-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole is c1ccc([C@H]2COC([C@H]3CCCC[C@@H]3C3=N[C@@H](c4ccccc4)CO3)=N2)cc1.
What is the InChIKey of (4S)-4-phenyl-2-[(1S,2S)-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is QDIWAJDLECILSV-FNAHDJPLSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-3-9-17(10-4-1)21-15-27-23(25-21)19-13-7-8-14-20(19)24-26-22(16-28-24)18-11-5-2-6-12-18/h1-6,9-12,19-22H,7-8,13-16H2/t19-,20-,21+,22+/m0/s1.
What are the key properties of (4S)-4-phenyl-2-[(1S,2S)-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-phenyl-2-[(1S,2S)-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 374.48 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenyl-2-[(1S,2S)-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11372252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).