(4R)-2-[(1S,2S)-2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4-phenyl-4,5-dihydro-1,3-oxazole

C21H28N2O2 — CID 134839866

IUPAC(4R)-2-[(1S,2S)-2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@H]1COC([C@H]2CCC[C@@H]2C2=N[C@H](c3ccccc3)CO2)=N1
InChIInChI=1S/C21H28N2O2/c1-21(2,3)18-13-25-20(23-18)16-11-7-10-15(16)19-22-17(12-24-19)14-8-5-4-6-9-14/h4-6,8-9,15-18H,7,10-13H2,1-3H3/t15-,16-,17-,18+/m0/s1
InChIKeyBEOFPEJCEAKJAT-XLAORIBOSA-N
MW340.47 g/mol
LogP4.42
Rot. Bonds3

About (4R)-2-[(1S,2S)-2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4-phenyl-4,5-dihydro-1,3-oxazole

(4R)-2-[(1S,2S)-2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 134839866) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is (4R)-2-[(1S,2S)-2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-2-[(1S,2S)-2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID134839866
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name(4R)-2-[(1S,2S)-2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@H]1COC([C@H]2CCC[C@@H]2C2=N[C@H](c3ccccc3)CO2)=N1
InChIInChI=1S/C21H28N2O2/c1-21(2,3)18-13-25-20(23-18)16-11-7-10-15(16)19-22-17(12-24-19)14-8-5-4-6-9-14/h4-6,8-9,15-18H,7,10-13H2,1-3H3/t15-,16-,17-,18+/m0/s1
InChIKeyBEOFPEJCEAKJAT-XLAORIBOSA-N
XLogP4.42
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

(S,S)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
CID 676388
Ph-box, (R,R)-
CID 676390
(S,S)-2,2'-Methylenebis(4-phenyl-2-oxazoline)
CID 736684
2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 3957686
(3aS,8aR)-2-[2,2-Bis[(S)-4-isopropyl-4,5-dihydro-2-oxazolyl]propyl]-8,8a-dihydro-3aH-indeno[1,2-d]ox
CID 11384701
(4R)-4-phenyl-2-(4,4,4-trifluoro-3-methylbutyl)-4,5-dihydro-1,3-oxazole
CID 134858563
(4R)-2-[(1R,2R)-2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 134839892
(4S)-2-[(1R,2R)-2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 134839893
(4S,4'S)-2,2'-(Cyclopropane-1,1-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 10496806
(4S,5R)-5-methyl-2-[2-[(4S,5R)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 10546604
(4R)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 10931742
Oxazole, 2-(1,1-dimethylethyl)-4,5-dihydro-4-phenyl-, (R)-
CID 11041847

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[(1S,2S)-2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-2-[(1S,2S)-2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4-phenyl-4,5-dihydro-1,3-oxazole (CID 134839866) is (4R)-2-[(1S,2S)-2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-2-[(1S,2S)-2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-2-[(1S,2S)-2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4-phenyl-4,5-dihydro-1,3-oxazole is CC(C)(C)[C@H]1COC([C@H]2CCC[C@@H]2C2=N[C@H](c3ccccc3)CO2)=N1.
What is the InChIKey of (4R)-2-[(1S,2S)-2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is BEOFPEJCEAKJAT-XLAORIBOSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-21(2,3)18-13-25-20(23-18)16-11-7-10-15(16)19-22-17(12-24-19)14-8-5-4-6-9-14/h4-6,8-9,15-18H,7,10-13H2,1-3H3/t15-,16-,17-,18+/m0/s1.
What are the key properties of (4R)-2-[(1S,2S)-2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
(4R)-2-[(1S,2S)-2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 340.47 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[(1S,2S)-2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 134839866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).