(5R)-5-benzyl-4,5-dihydro-1,2-oxazole

C10H11NO — CID 125494321

IUPAC(5R)-5-benzyl-4,5-dihydro-1,2-oxazole
SMILESC1=NO[C@H](Cc2ccccc2)C1
InChIInChI=1S/C10H11NO/c1-2-4-9(5-3-1)8-10-6-7-11-12-10/h1-5,7,10H,6,8H2/t10-/m0/s1
InChIKeyZUVJETHBILIXMC-JTQLQIEISA-N
MW161.20 g/mol
LogP2.00
Rot. Bonds2

About (5R)-5-benzyl-4,5-dihydro-1,2-oxazole

(5R)-5-benzyl-4,5-dihydro-1,2-oxazole (PubChem CID 125494321) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is (5R)-5-benzyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-5-benzyl-4,5-dihydro-1,2-oxazole
PubChem CID125494321
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name(5R)-5-benzyl-4,5-dihydro-1,2-oxazole
SMILESC1=NO[C@H](Cc2ccccc2)C1
InChIInChI=1S/C10H11NO/c1-2-4-9(5-3-1)8-10-6-7-11-12-10/h1-5,7,10H,6,8H2/t10-/m0/s1
InChIKeyZUVJETHBILIXMC-JTQLQIEISA-N
XLogP2.00
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-benzyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole
CID 71561705
3-benzyl-3,4-dihydroisochromen-1-one
CID 10728624
2-benzyl-5-ethyloxolane
CID 134971012
2-benzyl-1,4-dioxane
CID 12910406
5-benzyl-1,3-oxazolidine
CID 141039879
5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544919
5-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544914
2-benzyloxepane
CID 14272917
(2R,4R)-2-benzyl-4-methyloxolane
CID 101159192
5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole
CID 162348676
2-benzyl-2,3-dihydrochromen-4-one
CID 14773508
5-benzyl-3-phenyl-1,3-oxazolidin-2-one
CID 21393580

Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-5-benzyl-4,5-dihydro-1,2-oxazole (CID 125494321) is (5R)-5-benzyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-5-benzyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-5-benzyl-4,5-dihydro-1,2-oxazole is C1=NO[C@H](Cc2ccccc2)C1.
What is the InChIKey of (5R)-5-benzyl-4,5-dihydro-1,2-oxazole?
The InChIKey is ZUVJETHBILIXMC-JTQLQIEISA-N. The full InChI is InChI=1S/C10H11NO/c1-2-4-9(5-3-1)8-10-6-7-11-12-10/h1-5,7,10H,6,8H2/t10-/m0/s1.
What are the key properties of (5R)-5-benzyl-4,5-dihydro-1,2-oxazole?
(5R)-5-benzyl-4,5-dihydro-1,2-oxazole has a molecular weight of 161.20 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 125494321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).