(5R)-5-(2-benzyl-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole

C17H16FNO — CID 59570243

IUPAC(5R)-5-(2-benzyl-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NO[C@@H](c2c(F)cccc2Cc2ccccc2)C1
InChIInChI=1S/C17H16FNO/c1-12-10-16(20-19-12)17-14(8-5-9-15(17)18)11-13-6-3-2-4-7-13/h2-9,16H,10-11H2,1H3/t16-/m1/s1
InChIKeyOICQAIMAOGQCQE-MRXNPFEDSA-N
MW269.32 g/mol
LogP4.25
Rot. Bonds3

About (5R)-5-(2-benzyl-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole

(5R)-5-(2-benzyl-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 59570243) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is (5R)-5-(2-benzyl-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-5-(2-benzyl-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole
PubChem CID59570243
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name(5R)-5-(2-benzyl-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NO[C@@H](c2c(F)cccc2Cc2ccccc2)C1
InChIInChI=1S/C17H16FNO/c1-12-10-16(20-19-12)17-14(8-5-9-15(17)18)11-13-6-3-2-4-7-13/h2-9,16H,10-11H2,1H3/t16-/m1/s1
InChIKeyOICQAIMAOGQCQE-MRXNPFEDSA-N
XLogP4.25
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2-benzyl-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-5-(2-benzyl-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole (CID 59570243) is (5R)-5-(2-benzyl-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-5-(2-benzyl-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-5-(2-benzyl-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole is CC1=NO[C@@H](c2c(F)cccc2Cc2ccccc2)C1.
What is the InChIKey of (5R)-5-(2-benzyl-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is OICQAIMAOGQCQE-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16FNO/c1-12-10-16(20-19-12)17-14(8-5-9-15(17)18)11-13-6-3-2-4-7-13/h2-9,16H,10-11H2,1H3/t16-/m1/s1.
What are the key properties of (5R)-5-(2-benzyl-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole?
(5R)-5-(2-benzyl-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 269.32 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2-benzyl-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 59570243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).