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

C12H14FNO2 — CID 154991830

IUPAC(4R,5R)-3-[(4-fluorophenyl)methyl]-4,5-dimethyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1[C@@H](C)OC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C12H14FNO2/c1-8-9(2)16-12(15)14(8)7-10-3-5-11(13)6-4-10/h3-6,8-9H,7H2,1-2H3/t8-,9-/m1/s1
InChIKeyPAGNYQYZLXOWAS-RKDXNWHRSA-N
MW223.25 g/mol
LogP2.55
Rot. Bonds2

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

(4R,5R)-3-[(4-fluorophenyl)methyl]-4,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 154991830) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is (4R,5R)-3-[(4-fluorophenyl)methyl]-4,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-3-[(4-fluorophenyl)methyl]-4,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID154991830
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name(4R,5R)-3-[(4-fluorophenyl)methyl]-4,5-dimethyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1[C@@H](C)OC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C12H14FNO2/c1-8-9(2)16-12(15)14(8)7-10-3-5-11(13)6-4-10/h3-6,8-9H,7H2,1-2H3/t8-,9-/m1/s1
InChIKeyPAGNYQYZLXOWAS-RKDXNWHRSA-N
XLogP2.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-3-[(4-fluorophenyl)methyl]-4,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-3-[(4-fluorophenyl)methyl]-4,5-dimethyl-1,3-oxazolidin-2-one (CID 154991830) is (4R,5R)-3-[(4-fluorophenyl)methyl]-4,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-3-[(4-fluorophenyl)methyl]-4,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-3-[(4-fluorophenyl)methyl]-4,5-dimethyl-1,3-oxazolidin-2-one is C[C@@H]1[C@@H](C)OC(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of (4R,5R)-3-[(4-fluorophenyl)methyl]-4,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is PAGNYQYZLXOWAS-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-8-9(2)16-12(15)14(8)7-10-3-5-11(13)6-4-10/h3-6,8-9H,7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (4R,5R)-3-[(4-fluorophenyl)methyl]-4,5-dimethyl-1,3-oxazolidin-2-one?
(4R,5R)-3-[(4-fluorophenyl)methyl]-4,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 223.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-3-[(4-fluorophenyl)methyl]-4,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 154991830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).