(4S)-4-benzyl-2-phenyl-4,5-dihydro-1,3-oxazole

C16H15NO — CID 10657514

IUPAC(4S)-4-benzyl-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C[C@H]2COC(c3ccccc3)=N2)cc1
InChIInChI=1S/C16H15NO/c1-3-7-13(8-4-1)11-15-12-18-16(17-15)14-9-5-2-6-10-14/h1-10,15H,11-12H2/t15-/m0/s1
InChIKeyIQAGKPDFDJLIRD-HNNXBMFYSA-N
MW237.30 g/mol
LogP3.07
Rot. Bonds3

About (4S)-4-benzyl-2-phenyl-4,5-dihydro-1,3-oxazole

(4S)-4-benzyl-2-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 10657514) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is (4S)-4-benzyl-2-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-benzyl-2-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID10657514
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name(4S)-4-benzyl-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C[C@H]2COC(c3ccccc3)=N2)cc1
InChIInChI=1S/C16H15NO/c1-3-7-13(8-4-1)11-15-12-18-16(17-15)14-9-5-2-6-10-14/h1-10,15H,11-12H2/t15-/m0/s1
InChIKeyIQAGKPDFDJLIRD-HNNXBMFYSA-N
XLogP3.07
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-2-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-benzyl-2-phenyl-4,5-dihydro-1,3-oxazole (CID 10657514) is (4S)-4-benzyl-2-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-benzyl-2-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-benzyl-2-phenyl-4,5-dihydro-1,3-oxazole is c1ccc(C[C@H]2COC(c3ccccc3)=N2)cc1.
What is the InChIKey of (4S)-4-benzyl-2-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is IQAGKPDFDJLIRD-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15NO/c1-3-7-13(8-4-1)11-15-12-18-16(17-15)14-9-5-2-6-10-14/h1-10,15H,11-12H2/t15-/m0/s1.
What are the key properties of (4S)-4-benzyl-2-phenyl-4,5-dihydro-1,3-oxazole?
(4S)-4-benzyl-2-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 237.30 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-2-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10657514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).