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

C16H15NO — CID 71561453

IUPAC(5S)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESc1ccc(C[C@H]2CC(c3ccccc3)=NO2)cc1
InChIInChI=1S/C16H15NO/c1-3-7-13(8-4-1)11-15-12-16(17-18-15)14-9-5-2-6-10-14/h1-10,15H,11-12H2/t15-/m0/s1
InChIKeyIMTGFFLRCGPYTN-HNNXBMFYSA-N
MW237.30 g/mol
LogP3.42
Rot. Bonds3

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

(5S)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 71561453) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is (5S)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID71561453
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name(5S)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESc1ccc(C[C@H]2CC(c3ccccc3)=NO2)cc1
InChIInChI=1S/C16H15NO/c1-3-7-13(8-4-1)11-15-12-16(17-18-15)14-9-5-2-6-10-14/h1-10,15H,11-12H2/t15-/m0/s1
InChIKeyIMTGFFLRCGPYTN-HNNXBMFYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(+-)-Benzoin oxime
CID 9924
Cupron
CID 5354084
5-Benzyl-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544904
(5R)-5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561968
(5R)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561970
(5R)-5-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561972
(5R)-5-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 71562090
4-[(5R)-5-benzyl-4,5-dihydro-1,2-oxazol-3-yl]benzonitrile
CID 71562092
(5R)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562324
5-Benzyl-3-(3-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544959
Isoxazole, 4,5-dihydro-3,5-diphenyl-
CID 98238
5-(Bromomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 12384704

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole (CID 71561453) is (5S)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole is c1ccc(C[C@H]2CC(c3ccccc3)=NO2)cc1.
What is the InChIKey of (5S)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is IMTGFFLRCGPYTN-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15NO/c1-3-7-13(8-4-1)11-15-12-16(17-18-15)14-9-5-2-6-10-14/h1-10,15H,11-12H2/t15-/m0/s1.
What are the key properties of (5S)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole?
(5S)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 237.30 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 71561453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).