(5R)-3-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one

C17H16FNO2 — CID 25173697

IUPAC(5R)-3-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(Cc2ccc(-c3ccc(F)cc3)cc2)C(=O)O1
InChIInChI=1S/C17H16FNO2/c1-12-10-19(17(20)21-12)11-13-2-4-14(5-3-13)15-6-8-16(18)9-7-15/h2-9,12H,10-11H2,1H3/t12-/m1/s1
InChIKeyPNWVKPYOOCOTSW-GFCCVEGCSA-N
MW285.32 g/mol
LogP3.83
Rot. Bonds3

About (5R)-3-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one

(5R)-3-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 25173697) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is (5R)-3-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID25173697
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name(5R)-3-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(Cc2ccc(-c3ccc(F)cc3)cc2)C(=O)O1
InChIInChI=1S/C17H16FNO2/c1-12-10-19(17(20)21-12)11-13-2-4-14(5-3-13)15-6-8-16(18)9-7-15/h2-9,12H,10-11H2,1H3/t12-/m1/s1
InChIKeyPNWVKPYOOCOTSW-GFCCVEGCSA-N
XLogP3.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one (CID 25173697) is (5R)-3-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one is C[C@@H]1CN(Cc2ccc(-c3ccc(F)cc3)cc2)C(=O)O1.
What is the InChIKey of (5R)-3-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is PNWVKPYOOCOTSW-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-12-10-19(17(20)21-12)11-13-2-4-14(5-3-13)15-6-8-16(18)9-7-15/h2-9,12H,10-11H2,1H3/t12-/m1/s1.
What are the key properties of (5R)-3-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
(5R)-3-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 285.32 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 25173697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).