(5S)-5-naphthalen-2-yl-3-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole

C21H16F3NO — CID 166442990

IUPAC(5S)-5-naphthalen-2-yl-3-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole
SMILESFC(F)(F)C[C@]1(c2ccc3ccccc3c2)CC(c2ccccc2)=NO1
InChIInChI=1S/C21H16F3NO/c22-21(23,24)14-20(13-19(25-26-20)16-7-2-1-3-8-16)18-11-10-15-6-4-5-9-17(15)12-18/h1-12H,13-14H2/t20-/m0/s1
InChIKeyBDHFVMHULGXXRI-FQEVSTJZSA-N
MW355.36 g/mol
LogP5.81
Rot. Bonds3

About (5S)-5-naphthalen-2-yl-3-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole

(5S)-5-naphthalen-2-yl-3-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole (PubChem CID 166442990) has the molecular formula C21H16F3NO and a molecular weight of 355.36 g/mol. Its IUPAC name is (5S)-5-naphthalen-2-yl-3-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name(5S)-5-naphthalen-2-yl-3-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole
PubChem CID166442990
Molecular FormulaC21H16F3NO
Molecular Weight355.36 g/mol
Exact Mass355.12
IUPAC Name(5S)-5-naphthalen-2-yl-3-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole
SMILESFC(F)(F)C[C@]1(c2ccc3ccccc3c2)CC(c2ccccc2)=NO1
InChIInChI=1S/C21H16F3NO/c22-21(23,24)14-20(13-19(25-26-20)16-7-2-1-3-8-16)18-11-10-15-6-4-5-9-17(15)12-18/h1-12H,13-14H2/t20-/m0/s1
InChIKeyBDHFVMHULGXXRI-FQEVSTJZSA-N
XLogP5.81
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.36
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-naphthalen-2-yl-3-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole?
The IUPAC name of (5S)-5-naphthalen-2-yl-3-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole (CID 166442990) is (5S)-5-naphthalen-2-yl-3-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole.
What is the SMILES notation for (5S)-5-naphthalen-2-yl-3-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole?
The canonical SMILES for (5S)-5-naphthalen-2-yl-3-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole is FC(F)(F)C[C@]1(c2ccc3ccccc3c2)CC(c2ccccc2)=NO1.
What is the InChIKey of (5S)-5-naphthalen-2-yl-3-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole?
The InChIKey is BDHFVMHULGXXRI-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H16F3NO/c22-21(23,24)14-20(13-19(25-26-20)16-7-2-1-3-8-16)18-11-10-15-6-4-5-9-17(15)12-18/h1-12H,13-14H2/t20-/m0/s1.
What are the key properties of (5S)-5-naphthalen-2-yl-3-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole?
(5S)-5-naphthalen-2-yl-3-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole has a molecular weight of 355.36 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-naphthalen-2-yl-3-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole is sourced from PubChem (CID 166442990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).