2,4-dibenzyl-4,5-dihydro-1,3-oxazole

C17H17NO — CID 13049261

IUPAC2,4-dibenzyl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(CC2=NC(Cc3ccccc3)CO2)cc1
InChIInChI=1S/C17H17NO/c1-3-7-14(8-4-1)11-16-13-19-17(18-16)12-15-9-5-2-6-10-15/h1-10,16H,11-13H2
InChIKeyCXJLMGDRFVTPFA-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.27
Rot. Bonds4

About 2,4-dibenzyl-4,5-dihydro-1,3-oxazole

2,4-dibenzyl-4,5-dihydro-1,3-oxazole (PubChem CID 13049261) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2,4-dibenzyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2,4-dibenzyl-4,5-dihydro-1,3-oxazole
PubChem CID13049261
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2,4-dibenzyl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(CC2=NC(Cc3ccccc3)CO2)cc1
InChIInChI=1S/C17H17NO/c1-3-7-14(8-4-1)11-16-13-19-17(18-16)12-15-9-5-2-6-10-15/h1-10,16H,11-13H2
InChIKeyCXJLMGDRFVTPFA-UHFFFAOYSA-N
XLogP3.27
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethyl-2-phenylmethyl-2-oxazoline
CID 98710
(S,S)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
CID 676388
Ph-box, (R,R)-
CID 676390
(S,S)-4,4'-Dibenzyl-2,2'-bi(2-oxazoline)
CID 697622
AG-H-02521
CID 5325154
2-Trityl-4,5-dihydrooxazole
CID 24799664
2,4-Diphenyl-1,3-oxazoline
CID 10889524
(S,S)-2,2'-Methylenebis(4-phenyl-2-oxazoline)
CID 736684
(+)-2,2'-Isopropylidenebis[(4R)-4-benzyl-2-oxazoline]
CID 10981320
(4S,4'S)-2,2'-(Pentane-3,3'-diyl)bis(4-benzyl-4,5-dihydrooxazole)
CID 10960121
(4S)-4-Benzyl-2-(heptafluoropropyl)-4,5-dihydro-1,3-oxazole
CID 72942282
(4S)-4-benzyl-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 17756895

Frequently Asked Questions

What is the IUPAC name of 2,4-dibenzyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2,4-dibenzyl-4,5-dihydro-1,3-oxazole (CID 13049261) is 2,4-dibenzyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2,4-dibenzyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2,4-dibenzyl-4,5-dihydro-1,3-oxazole is c1ccc(CC2=NC(Cc3ccccc3)CO2)cc1.
What is the InChIKey of 2,4-dibenzyl-4,5-dihydro-1,3-oxazole?
The InChIKey is CXJLMGDRFVTPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-3-7-14(8-4-1)11-16-13-19-17(18-16)12-15-9-5-2-6-10-15/h1-10,16H,11-13H2.
What are the key properties of 2,4-dibenzyl-4,5-dihydro-1,3-oxazole?
2,4-dibenzyl-4,5-dihydro-1,3-oxazole has a molecular weight of 251.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibenzyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 13049261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).