(5R)-5-[(1S)-1-fluoroethyl]-5-methyl-3-phenyl-1,3-oxazolidine-2,4-dione

C12H12FNO3 — CID 139049260

IUPAC(5R)-5-[(1S)-1-fluoroethyl]-5-methyl-3-phenyl-1,3-oxazolidine-2,4-dione
SMILESC[C@H](F)[C@]1(C)OC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C12H12FNO3/c1-8(13)12(2)10(15)14(11(16)17-12)9-6-4-3-5-7-9/h3-8H,1-2H3/t8-,12-/m0/s1
InChIKeyOVSRENDYPWCDJG-UFBFGSQYSA-N
MW237.23 g/mol
LogP2.29
Rot. Bonds2

About (5R)-5-[(1S)-1-fluoroethyl]-5-methyl-3-phenyl-1,3-oxazolidine-2,4-dione

(5R)-5-[(1S)-1-fluoroethyl]-5-methyl-3-phenyl-1,3-oxazolidine-2,4-dione (PubChem CID 139049260) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is (5R)-5-[(1S)-1-fluoroethyl]-5-methyl-3-phenyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(1S)-1-fluoroethyl]-5-methyl-3-phenyl-1,3-oxazolidine-2,4-dione
PubChem CID139049260
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name(5R)-5-[(1S)-1-fluoroethyl]-5-methyl-3-phenyl-1,3-oxazolidine-2,4-dione
SMILESC[C@H](F)[C@]1(C)OC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C12H12FNO3/c1-8(13)12(2)10(15)14(11(16)17-12)9-6-4-3-5-7-9/h3-8H,1-2H3/t8-,12-/m0/s1
InChIKeyOVSRENDYPWCDJG-UFBFGSQYSA-N
XLogP2.29
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-[(2R)-but-3-en-2-yl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one
CID 46211093
5-benzyl-5-fluoro-3-phenyl-1,3-oxazolidine-2,4-dione
CID 132574285
(5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidin-5-yl)methyl acetate
CID 155926943
ethyl 5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidine-5-carboxylate
CID 20530498
3-phenyl-1-oxa-3-azaspiro[4.5]decane-2,4,8-trione
CID 15497951
5-ethenyl-3,5-diphenyl-1,3-oxazolidine-2,4-dione
CID 168864617
3,4-dimethyl-1-phenyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 123938434
5-(3-oxobutyl)-3,5-diphenyl-1,3-oxazolidine-2,4-dione
CID 102476767
5-methyl-4-methylidene-3-phenyl-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 46210936
1-(4-fluorophenyl)-4,4-dimethyl-3,1-benzoxazin-2-one
CID 141064356
5-hydrazinyl-3-phenyl-5-piperidin-1-yl-1,3-oxazolidine-2,4-dione
CID 87542552
5-[(Z)-but-2-enyl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one
CID 46210942

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1S)-1-fluoroethyl]-5-methyl-3-phenyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(1S)-1-fluoroethyl]-5-methyl-3-phenyl-1,3-oxazolidine-2,4-dione (CID 139049260) is (5R)-5-[(1S)-1-fluoroethyl]-5-methyl-3-phenyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(1S)-1-fluoroethyl]-5-methyl-3-phenyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(1S)-1-fluoroethyl]-5-methyl-3-phenyl-1,3-oxazolidine-2,4-dione is C[C@H](F)[C@]1(C)OC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of (5R)-5-[(1S)-1-fluoroethyl]-5-methyl-3-phenyl-1,3-oxazolidine-2,4-dione?
The InChIKey is OVSRENDYPWCDJG-UFBFGSQYSA-N. The full InChI is InChI=1S/C12H12FNO3/c1-8(13)12(2)10(15)14(11(16)17-12)9-6-4-3-5-7-9/h3-8H,1-2H3/t8-,12-/m0/s1.
What are the key properties of (5R)-5-[(1S)-1-fluoroethyl]-5-methyl-3-phenyl-1,3-oxazolidine-2,4-dione?
(5R)-5-[(1S)-1-fluoroethyl]-5-methyl-3-phenyl-1,3-oxazolidine-2,4-dione has a molecular weight of 237.23 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1S)-1-fluoroethyl]-5-methyl-3-phenyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 139049260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).