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

C16H14ClNO — CID 71562091

IUPAC(5S)-5-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole
SMILESClc1ccc(C2=NO[C@@H](Cc3ccccc3)C2)cc1
InChIInChI=1S/C16H14ClNO/c17-14-8-6-13(7-9-14)16-11-15(19-18-16)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2/t15-/m0/s1
InChIKeyVKNZADDJHLWOFO-HNNXBMFYSA-N
MW271.75 g/mol
LogP4.08
Rot. Bonds3

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

(5S)-5-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 71562091) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is (5S)-5-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-5-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole
PubChem CID71562091
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name(5S)-5-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole
SMILESClc1ccc(C2=NO[C@@H](Cc3ccccc3)C2)cc1
InChIInChI=1S/C16H14ClNO/c17-14-8-6-13(7-9-14)16-11-15(19-18-16)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2/t15-/m0/s1
InChIKeyVKNZADDJHLWOFO-HNNXBMFYSA-N
XLogP4.08
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-5-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole (CID 71562091) is (5S)-5-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-5-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-5-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole is Clc1ccc(C2=NO[C@@H](Cc3ccccc3)C2)cc1.
What is the InChIKey of (5S)-5-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is VKNZADDJHLWOFO-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H14ClNO/c17-14-8-6-13(7-9-14)16-11-15(19-18-16)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2/t15-/m0/s1.
What are the key properties of (5S)-5-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole?
(5S)-5-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 271.75 g/mol, XLogP of 4.08, 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-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 71562091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).