3-[3-(4-fluorophenyl)-3-oxopropyl]-1,3-oxazolidin-2-one

C12H12FNO3 — CID 62023163

IUPAC3-[3-(4-fluorophenyl)-3-oxopropyl]-1,3-oxazolidin-2-one
SMILESO=C(CCN1CCOC1=O)c1ccc(F)cc1
InChIInChI=1S/C12H12FNO3/c13-10-3-1-9(2-4-10)11(15)5-6-14-7-8-17-12(14)16/h1-4H,5-8H2
InChIKeyXTOJAQUQRRCHPE-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.85
Rot. Bonds4

About 3-[3-(4-fluorophenyl)-3-oxopropyl]-1,3-oxazolidin-2-one

3-[3-(4-fluorophenyl)-3-oxopropyl]-1,3-oxazolidin-2-one (PubChem CID 62023163) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-3-oxopropyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-3-oxopropyl]-1,3-oxazolidin-2-one
PubChem CID62023163
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name3-[3-(4-fluorophenyl)-3-oxopropyl]-1,3-oxazolidin-2-one
SMILESO=C(CCN1CCOC1=O)c1ccc(F)cc1
InChIInChI=1S/C12H12FNO3/c13-10-3-1-9(2-4-10)11(15)5-6-14-7-8-17-12(14)16/h1-4H,5-8H2
InChIKeyXTOJAQUQRRCHPE-UHFFFAOYSA-N
XLogP1.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one
CID 143425472
3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-fluorophenyl)propan-1-one
CID 43793154
3-[2-(4-methylsulfanylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one
CID 62023548
N-(4-acetylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 47378519
but-1-ene;1-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)pentane-1,5-dione;prop-1-ene
CID 143276417
1-(3-oxo-3-phenylpropyl)imidazolidin-2-one
CID 11183562
N-(3,4-difluorophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686968
4-tert-butyl-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrrolidin-2-one
CID 104512227
2-[3-(4-fluorophenyl)-3-oxopropyl]-3H-isoindol-1-one
CID 62025088
1-(4-fluorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-one
CID 43793076
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 51092008
1-(4-fluorophenyl)-3-[(2R)-2-[(2R)-oxolan-2-yl]morpholin-4-yl]propan-1-one
CID 124776743

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-3-oxopropyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(4-fluorophenyl)-3-oxopropyl]-1,3-oxazolidin-2-one (CID 62023163) is 3-[3-(4-fluorophenyl)-3-oxopropyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-3-oxopropyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(4-fluorophenyl)-3-oxopropyl]-1,3-oxazolidin-2-one is O=C(CCN1CCOC1=O)c1ccc(F)cc1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-3-oxopropyl]-1,3-oxazolidin-2-one?
The InChIKey is XTOJAQUQRRCHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c13-10-3-1-9(2-4-10)11(15)5-6-14-7-8-17-12(14)16/h1-4H,5-8H2.
What are the key properties of 3-[3-(4-fluorophenyl)-3-oxopropyl]-1,3-oxazolidin-2-one?
3-[3-(4-fluorophenyl)-3-oxopropyl]-1,3-oxazolidin-2-one has a molecular weight of 237.23 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-3-oxopropyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 62023163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).