(5S)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole

C16H13ClFNO — CID 71562325

IUPAC(5S)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole
SMILESFc1ccc(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)cc1
InChIInChI=1S/C16H13ClFNO/c17-13-5-3-12(4-6-13)16-10-15(20-19-16)9-11-1-7-14(18)8-2-11/h1-8,15H,9-10H2/t15-/m0/s1
InChIKeyWPXJXMALVRCFPX-HNNXBMFYSA-N
MW289.74 g/mol
LogP4.21
Rot. Bonds3

About (5S)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole

(5S)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole (PubChem CID 71562325) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is (5S)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole
PubChem CID71562325
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name(5S)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole
SMILESFc1ccc(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)cc1
InChIInChI=1S/C16H13ClFNO/c17-13-5-3-12(4-6-13)16-10-15(20-19-16)9-11-1-7-14(18)8-2-11/h1-8,15H,9-10H2/t15-/m0/s1
InChIKeyWPXJXMALVRCFPX-HNNXBMFYSA-N
XLogP4.21
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole (CID 71562325) is (5S)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole is Fc1ccc(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)cc1.
What is the InChIKey of (5S)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is WPXJXMALVRCFPX-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c17-13-5-3-12(4-6-13)16-10-15(20-19-16)9-11-1-7-14(18)8-2-11/h1-8,15H,9-10H2/t15-/m0/s1.
What are the key properties of (5S)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole?
(5S)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 289.74 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 71562325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).