2-[2,2-bis[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]phenol

C27H26N2O3 — CID 101488275

IUPAC2-[2,2-bis[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]phenol
SMILESCC(Cc1ccccc1O)(C1=N[C@H](c2ccccc2)CO1)C1=N[C@H](c2ccccc2)CO1
InChIInChI=1S/C27H26N2O3/c1-27(16-21-14-8-9-15-24(21)30,25-28-22(17-31-25)19-10-4-2-5-11-19)26-29-23(18-32-26)20-12-6-3-7-13-20/h2-15,22-23,30H,16-18H2,1H3/t22-,23-/m0/s1
InChIKeyKVDBEPRZJRLLQX-GOTSBHOMSA-N
MW426.52 g/mol
LogP5.28
Rot. Bonds6

About 2-[2,2-bis[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]phenol

2-[2,2-bis[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]phenol (PubChem CID 101488275) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-[2,2-bis[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]phenol.

Molecular Properties

Compound Name2-[2,2-bis[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]phenol
PubChem CID101488275
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC Name2-[2,2-bis[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]phenol
SMILESCC(Cc1ccccc1O)(C1=N[C@H](c2ccccc2)CO1)C1=N[C@H](c2ccccc2)CO1
InChIInChI=1S/C27H26N2O3/c1-27(16-21-14-8-9-15-24(21)30,25-28-22(17-31-25)19-10-4-2-5-11-19)26-29-23(18-32-26)20-12-6-3-7-13-20/h2-15,22-23,30H,16-18H2,1H3/t22-,23-/m0/s1
InChIKeyKVDBEPRZJRLLQX-GOTSBHOMSA-N
XLogP5.28
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

chlorocopper;(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 24769983
dichlorocopper;(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 11294328
copper;bis(hexafluoroantimony(1-));(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 44517919
(4S)-4-phenyl-2-[2-[6-[6-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-2-pyridinyl]-2-pyridinyl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 101183979
copper;(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate)
CID 10897782
4,4-diphenyl-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-5H-1,3-oxazole
CID 161218625
(4S)-2-[2-(4-methylphenyl)sulfinylpropan-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 101265562
(3R)-5-(2-methylbutan-2-yl)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one
CID 139254561
tert-butyl 3,3-dimethyl-4-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]butanoate
CID 166481987
1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine
CID 59919098
2-(2-cyclopentyl-2-methylpropyl)phenol
CID 160603986
methanidylbenzene;2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenol;titanium(3+)
CID 168819349

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-bis[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]phenol?
The IUPAC name of 2-[2,2-bis[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]phenol (CID 101488275) is 2-[2,2-bis[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]phenol.
What is the SMILES notation for 2-[2,2-bis[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]phenol?
The canonical SMILES for 2-[2,2-bis[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]phenol is CC(Cc1ccccc1O)(C1=N[C@H](c2ccccc2)CO1)C1=N[C@H](c2ccccc2)CO1.
What is the InChIKey of 2-[2,2-bis[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]phenol?
The InChIKey is KVDBEPRZJRLLQX-GOTSBHOMSA-N. The full InChI is InChI=1S/C27H26N2O3/c1-27(16-21-14-8-9-15-24(21)30,25-28-22(17-31-25)19-10-4-2-5-11-19)26-29-23(18-32-26)20-12-6-3-7-13-20/h2-15,22-23,30H,16-18H2,1H3/t22-,23-/m0/s1.
What are the key properties of 2-[2,2-bis[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]phenol?
2-[2,2-bis[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]phenol has a molecular weight of 426.52 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]phenol is sourced from PubChem (CID 101488275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).