3-[3-(3,5-difluorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C15H17F2NO3 — CID 76723696

IUPAC3-[3-(3,5-difluorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1C(=O)CCc1cc(F)cc(F)c1
InChIInChI=1S/C15H17F2NO3/c1-9(2)13-8-21-15(20)18(13)14(19)4-3-10-5-11(16)7-12(17)6-10/h5-7,9,13H,3-4,8H2,1-2H3
InChIKeyIZBFNXMMOKJSAR-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.90
Rot. Bonds4

About 3-[3-(3,5-difluorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

3-[3-(3,5-difluorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 76723696) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is 3-[3-(3,5-difluorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(3,5-difluorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID76723696
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Name3-[3-(3,5-difluorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1C(=O)CCc1cc(F)cc(F)c1
InChIInChI=1S/C15H17F2NO3/c1-9(2)13-8-21-15(20)18(13)14(19)4-3-10-5-11(16)7-12(17)6-10/h5-7,9,13H,3-4,8H2,1-2H3
InChIKeyIZBFNXMMOKJSAR-UHFFFAOYSA-N
XLogP2.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11010755
(4S)-3-[3-(4-chlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 122642087
5-bromo-1-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pentane-1,4-dione
CID 21468642
(4R)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 139919284
3-heptanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 22490329
(4S)-3-hept-6-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11053746
2,2-dimethyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid
CID 118343251
1,5-bis[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentane-1,5-dione
CID 102321018
3-(2-cyclopentylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10082966
(4S)-3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 77106963
2,2-dimethyl-4-oxo-4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)butanoic acid
CID 57209681
(4S)-3-[(2S)-2-(4-fluorophenyl)butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 130277630

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-difluorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(3,5-difluorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 76723696) is 3-[3-(3,5-difluorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-(3,5-difluorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(3,5-difluorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)C1COC(=O)N1C(=O)CCc1cc(F)cc(F)c1.
What is the InChIKey of 3-[3-(3,5-difluorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is IZBFNXMMOKJSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO3/c1-9(2)13-8-21-15(20)18(13)14(19)4-3-10-5-11(16)7-12(17)6-10/h5-7,9,13H,3-4,8H2,1-2H3.
What are the key properties of 3-[3-(3,5-difluorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
3-[3-(3,5-difluorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 297.30 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-difluorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 76723696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).