2-[2-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]oxolan-2-yl]propan-2-ol

C22H25NO3 — CID 11394012

IUPAC2-[2-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]oxolan-2-yl]propan-2-ol
SMILESCC(C)(O)C1(C2=N[C@H](c3ccccc3)[C@@H](c3ccccc3)O2)CCCO1
InChIInChI=1S/C22H25NO3/c1-21(2,24)22(14-9-15-25-22)20-23-18(16-10-5-3-6-11-16)19(26-20)17-12-7-4-8-13-17/h3-8,10-13,18-19,24H,9,14-15H2,1-2H3/t18-,19-,22?/m1/s1
InChIKeyNBHSOSFBEXUHDZ-IERKJGKXSA-N
MW351.45 g/mol
LogP4.22
Rot. Bonds4

About 2-[2-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]oxolan-2-yl]propan-2-ol

2-[2-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]oxolan-2-yl]propan-2-ol (PubChem CID 11394012) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[2-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]oxolan-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]oxolan-2-yl]propan-2-ol
PubChem CID11394012
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name2-[2-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]oxolan-2-yl]propan-2-ol
SMILESCC(C)(O)C1(C2=N[C@H](c3ccccc3)[C@@H](c3ccccc3)O2)CCCO1
InChIInChI=1S/C22H25NO3/c1-21(2,24)22(14-9-15-25-22)20-23-18(16-10-5-3-6-11-16)19(26-20)17-12-7-4-8-13-17/h3-8,10-13,18-19,24H,9,14-15H2,1-2H3/t18-,19-,22?/m1/s1
InChIKeyNBHSOSFBEXUHDZ-IERKJGKXSA-N
XLogP4.22
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]oxolan-2-yl]propan-2-ol with MolForge

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Related Compounds

(4S)-2-[2-[(4S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 101210417
(4R,5R)-2-[2-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 10972956
(1S,5R)-7-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5,7-trimethyl-3-azabicyclo[3.3.1]nonane-2,4-dione
CID 10873431
(1S,5S)-7-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5,7-trimethyl-3-azabicyclo[3.3.1]nonane-2,4-dione
CID 15195144
3-[(4S,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-5-formyl-1,3,5-trimethylcyclohexane-1-carboxamide
CID 89204003
1-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine
CID 59910326
1-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]methanamine
CID 23380091
2-[2-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylpropan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 155888910
2-[3-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)pentan-3-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 155889518
(4R,5R)-2-[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 90840286
(4R,5S)-3-[(5R,9R)-7-oxo-1-oxaspiro[4.4]nonan-9-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 10499820
(4R,5R)-4,5-diphenyl-2-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole
CID 102576068

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]oxolan-2-yl]propan-2-ol?
The IUPAC name of 2-[2-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]oxolan-2-yl]propan-2-ol (CID 11394012) is 2-[2-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]oxolan-2-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]oxolan-2-yl]propan-2-ol?
The canonical SMILES for 2-[2-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]oxolan-2-yl]propan-2-ol is CC(C)(O)C1(C2=N[C@H](c3ccccc3)[C@@H](c3ccccc3)O2)CCCO1.
What is the InChIKey of 2-[2-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]oxolan-2-yl]propan-2-ol?
The InChIKey is NBHSOSFBEXUHDZ-IERKJGKXSA-N. The full InChI is InChI=1S/C22H25NO3/c1-21(2,24)22(14-9-15-25-22)20-23-18(16-10-5-3-6-11-16)19(26-20)17-12-7-4-8-13-17/h3-8,10-13,18-19,24H,9,14-15H2,1-2H3/t18-,19-,22?/m1/s1.
What are the key properties of 2-[2-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]oxolan-2-yl]propan-2-ol?
2-[2-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]oxolan-2-yl]propan-2-ol has a molecular weight of 351.45 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]oxolan-2-yl]propan-2-ol is sourced from PubChem (CID 11394012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).