N-(3-fluorophenyl)-3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanamide

C15H19FN2O4 — CID 5295113

IUPACN-(3-fluorophenyl)-3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanamide
SMILESCC1(C)OC(=O)N(CCC(=O)Nc2cccc(F)c2)C1(C)O
InChIInChI=1S/C15H19FN2O4/c1-14(2)15(3,21)18(13(20)22-14)8-7-12(19)17-11-6-4-5-10(16)9-11/h4-6,9,21H,7-8H2,1-3H3,(H,17,19)
InChIKeyKAEWKDATJSCBJL-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.09
Rot. Bonds4

About N-(3-fluorophenyl)-3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanamide

N-(3-fluorophenyl)-3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanamide (PubChem CID 5295113) has the molecular formula C15H19FN2O4 and a molecular weight of 310.32 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanamide
PubChem CID5295113
Molecular FormulaC15H19FN2O4
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC NameN-(3-fluorophenyl)-3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanamide
SMILESCC1(C)OC(=O)N(CCC(=O)Nc2cccc(F)c2)C1(C)O
InChIInChI=1S/C15H19FN2O4/c1-14(2)15(3,21)18(13(20)22-14)8-7-12(19)17-11-6-4-5-10(16)9-11/h4-6,9,21H,7-8H2,1-3H3,(H,17,19)
InChIKeyKAEWKDATJSCBJL-UHFFFAOYSA-N
XLogP2.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanamide?
The IUPAC name of N-(3-fluorophenyl)-3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanamide (CID 5295113) is N-(3-fluorophenyl)-3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanamide?
The canonical SMILES for N-(3-fluorophenyl)-3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanamide is CC1(C)OC(=O)N(CCC(=O)Nc2cccc(F)c2)C1(C)O.
What is the InChIKey of N-(3-fluorophenyl)-3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanamide?
The InChIKey is KAEWKDATJSCBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O4/c1-14(2)15(3,21)18(13(20)22-14)8-7-12(19)17-11-6-4-5-10(16)9-11/h4-6,9,21H,7-8H2,1-3H3,(H,17,19).
What are the key properties of N-(3-fluorophenyl)-3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanamide?
N-(3-fluorophenyl)-3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanamide has a molecular weight of 310.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanamide is sourced from PubChem (CID 5295113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).