(4S)-4-benzyl-4,5-dihydro-1,3-oxazole

C10H11NO — CID 11094940

IUPAC(4S)-4-benzyl-4,5-dihydro-1,3-oxazole
SMILESC1=N[C@@H](Cc2ccccc2)CO1
InChIInChI=1S/C10H11NO/c1-2-4-9(5-3-1)6-10-7-12-8-11-10/h1-5,8,10H,6-7H2/t10-/m0/s1
InChIKeyRWGLROKEYRSHME-JTQLQIEISA-N
MW161.20 g/mol
LogP1.66
Rot. Bonds2

About (4S)-4-benzyl-4,5-dihydro-1,3-oxazole

(4S)-4-benzyl-4,5-dihydro-1,3-oxazole (PubChem CID 11094940) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is (4S)-4-benzyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-benzyl-4,5-dihydro-1,3-oxazole
PubChem CID11094940
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name(4S)-4-benzyl-4,5-dihydro-1,3-oxazole
SMILESC1=N[C@@H](Cc2ccccc2)CO1
InChIInChI=1S/C10H11NO/c1-2-4-9(5-3-1)6-10-7-12-8-11-10/h1-5,8,10H,6-7H2/t10-/m0/s1
InChIKeyRWGLROKEYRSHME-JTQLQIEISA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-benzyl-4,5-dihydro-1,3-oxazole (CID 11094940) is (4S)-4-benzyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-benzyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-benzyl-4,5-dihydro-1,3-oxazole is C1=N[C@@H](Cc2ccccc2)CO1.
What is the InChIKey of (4S)-4-benzyl-4,5-dihydro-1,3-oxazole?
The InChIKey is RWGLROKEYRSHME-JTQLQIEISA-N. The full InChI is InChI=1S/C10H11NO/c1-2-4-9(5-3-1)6-10-7-12-8-11-10/h1-5,8,10H,6-7H2/t10-/m0/s1.
What are the key properties of (4S)-4-benzyl-4,5-dihydro-1,3-oxazole?
(4S)-4-benzyl-4,5-dihydro-1,3-oxazole has a molecular weight of 161.20 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11094940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).