(5R)-5-[2-fluoro-6-(2-phenylethyl)phenyl]-3-methyl-4,5-dihydro-1,2-oxazole

C18H18FNO — CID 59570258

IUPAC(5R)-5-[2-fluoro-6-(2-phenylethyl)phenyl]-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NO[C@@H](c2c(F)cccc2CCc2ccccc2)C1
InChIInChI=1S/C18H18FNO/c1-13-12-17(21-20-13)18-15(8-5-9-16(18)19)11-10-14-6-3-2-4-7-14/h2-9,17H,10-12H2,1H3/t17-/m1/s1
InChIKeySSFLJCUIUFJZLZ-QGZVFWFLSA-N
MW283.35 g/mol
LogP4.45
Rot. Bonds4

About (5R)-5-[2-fluoro-6-(2-phenylethyl)phenyl]-3-methyl-4,5-dihydro-1,2-oxazole

(5R)-5-[2-fluoro-6-(2-phenylethyl)phenyl]-3-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 59570258) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is (5R)-5-[2-fluoro-6-(2-phenylethyl)phenyl]-3-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-5-[2-fluoro-6-(2-phenylethyl)phenyl]-3-methyl-4,5-dihydro-1,2-oxazole
PubChem CID59570258
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name(5R)-5-[2-fluoro-6-(2-phenylethyl)phenyl]-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NO[C@@H](c2c(F)cccc2CCc2ccccc2)C1
InChIInChI=1S/C18H18FNO/c1-13-12-17(21-20-13)18-15(8-5-9-16(18)19)11-10-14-6-3-2-4-7-14/h2-9,17H,10-12H2,1H3/t17-/m1/s1
InChIKeySSFLJCUIUFJZLZ-QGZVFWFLSA-N
XLogP4.45
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-fluoro-6-(2-phenylethyl)phenyl]-3-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-5-[2-fluoro-6-(2-phenylethyl)phenyl]-3-methyl-4,5-dihydro-1,2-oxazole (CID 59570258) is (5R)-5-[2-fluoro-6-(2-phenylethyl)phenyl]-3-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-5-[2-fluoro-6-(2-phenylethyl)phenyl]-3-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-5-[2-fluoro-6-(2-phenylethyl)phenyl]-3-methyl-4,5-dihydro-1,2-oxazole is CC1=NO[C@@H](c2c(F)cccc2CCc2ccccc2)C1.
What is the InChIKey of (5R)-5-[2-fluoro-6-(2-phenylethyl)phenyl]-3-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is SSFLJCUIUFJZLZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18FNO/c1-13-12-17(21-20-13)18-15(8-5-9-16(18)19)11-10-14-6-3-2-4-7-14/h2-9,17H,10-12H2,1H3/t17-/m1/s1.
What are the key properties of (5R)-5-[2-fluoro-6-(2-phenylethyl)phenyl]-3-methyl-4,5-dihydro-1,2-oxazole?
(5R)-5-[2-fluoro-6-(2-phenylethyl)phenyl]-3-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 283.35 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-fluoro-6-(2-phenylethyl)phenyl]-3-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 59570258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).