3-[4-[4-(chloromethyl)phenyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one

C17H15ClFNO2 — CID 143068646

IUPAC3-[4-[4-(chloromethyl)phenyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCC1CN(c2ccc(-c3ccc(CCl)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H15ClFNO2/c1-11-10-20(17(21)22-11)14-6-7-15(16(19)8-14)13-4-2-12(9-18)3-5-13/h2-8,11H,9-10H2,1H3
InChIKeyJNNDPPNETLKNJB-UHFFFAOYSA-N
MW319.76 g/mol
LogP4.58
Rot. Bonds3

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

3-[4-[4-(chloromethyl)phenyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 143068646) has the molecular formula C17H15ClFNO2 and a molecular weight of 319.76 g/mol. Its IUPAC name is 3-[4-[4-(chloromethyl)phenyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[4-(chloromethyl)phenyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID143068646
Molecular FormulaC17H15ClFNO2
Molecular Weight319.76 g/mol
Exact Mass319.08
IUPAC Name3-[4-[4-(chloromethyl)phenyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCC1CN(c2ccc(-c3ccc(CCl)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H15ClFNO2/c1-11-10-20(17(21)22-11)14-6-7-15(16(19)8-14)13-4-2-12(9-18)3-5-13/h2-8,11H,9-10H2,1H3
InChIKeyJNNDPPNETLKNJB-UHFFFAOYSA-N
XLogP4.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.76
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one
CID 123298468
(5S)-5-ethyl-3-[4-(4-ethylphenyl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 59264706
(5S)-5-ethyl-3-[3-fluoro-4-[4-(methylsulfonylmethyl)phenyl]phenyl]-1,3-oxazolidin-2-one
CID 157350922
(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-methyl-1,3-oxazolidin-2-one
CID 67012308
N-[5-[2-fluoro-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-pyridinyl]-2-hydroxypropanamide
CID 23438593
(5S)-3-[4-[4-(azidomethyl)phenyl]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one
CID 58045372
N-[[3-[3-fluoro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274293
4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide
CID 158273364
N-[[(5S)-3-[4-[4-[(chloromethylsulfonylamino)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11691301
N-[[3-[3-fluoro-4-[4-(methanesulfonamidomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 71294897
N-[[3-[3-fluoro-4-[4-[(5-methyltetrazol-2-yl)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274143
(1S,5R)-6-[5-[2-fluoro-4-[(5S)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CID 71048307

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(chloromethyl)phenyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[4-(chloromethyl)phenyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one (CID 143068646) is 3-[4-[4-(chloromethyl)phenyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[4-(chloromethyl)phenyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[4-(chloromethyl)phenyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one is CC1CN(c2ccc(-c3ccc(CCl)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of 3-[4-[4-(chloromethyl)phenyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is JNNDPPNETLKNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO2/c1-11-10-20(17(21)22-11)14-6-7-15(16(19)8-14)13-4-2-12(9-18)3-5-13/h2-8,11H,9-10H2,1H3.
What are the key properties of 3-[4-[4-(chloromethyl)phenyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one?
3-[4-[4-(chloromethyl)phenyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 319.76 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(chloromethyl)phenyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 143068646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).