[(5R)-3-[3-fluoro-4-[4-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate

C22H21FN2O6 — CID 59749419

IUPAC[(5R)-3-[3-fluoro-4-[4-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate
SMILESCC(=O)OC[C@H]1CN(c2ccc(-c3ccc(C4=NOC(CO)C4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H21FN2O6/c1-13(27)29-12-18-10-25(22(28)30-18)16-6-7-19(20(23)8-16)14-2-4-15(5-3-14)21-9-17(11-26)31-24-21/h2-8,17-18,26H,9-12H2,1H3/t17?,18-/m1/s1
InChIKeyHJOFDNBUXARZJT-QRWMCTBCSA-N
MW428.42 g/mol
LogP2.87
Rot. Bonds6

About [(5R)-3-[3-fluoro-4-[4-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate

[(5R)-3-[3-fluoro-4-[4-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate (PubChem CID 59749419) has the molecular formula C22H21FN2O6 and a molecular weight of 428.42 g/mol. Its IUPAC name is [(5R)-3-[3-fluoro-4-[4-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate.

Molecular Properties

Compound Name[(5R)-3-[3-fluoro-4-[4-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate
PubChem CID59749419
Molecular FormulaC22H21FN2O6
Molecular Weight428.42 g/mol
Exact Mass428.14
IUPAC Name[(5R)-3-[3-fluoro-4-[4-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate
SMILESCC(=O)OC[C@H]1CN(c2ccc(-c3ccc(C4=NOC(CO)C4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H21FN2O6/c1-13(27)29-12-18-10-25(22(28)30-18)16-6-7-19(20(23)8-16)14-2-4-15(5-3-14)21-9-17(11-26)31-24-21/h2-8,17-18,26H,9-12H2,1H3/t17?,18-/m1/s1
InChIKeyHJOFDNBUXARZJT-QRWMCTBCSA-N
XLogP2.87
TPSA97.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(5R)-3-[3-fluoro-4-[4-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate with MolForge

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Launch Full Analysis

Related Compounds

N-[[3-[3-fluoro-4-[3-fluoro-4-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11719247
(5R)-3-[3-fluoro-4-[2-fluoro-4-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 59749414
N-[[3-[3-fluoro-4-[5-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]thiophen-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10137708
[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl acetate
CID 139974744
N-[[(5S)-3-[4-[4-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59749515
N-[[(5S)-3-[3-fluoro-4-[4-[5-[(4-methyltriazol-1-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59749425
[3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroacetic acid
CID 11215545
[3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl piperidine-4-carboxylate
CID 58653805
[(5R)-3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate
CID 11307442
4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide
CID 158273364
1-O-ethyl 6-O-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl] hexanedioate
CID 58758423
(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 10411371

Frequently Asked Questions

What is the IUPAC name of [(5R)-3-[3-fluoro-4-[4-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate?
The IUPAC name of [(5R)-3-[3-fluoro-4-[4-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate (CID 59749419) is [(5R)-3-[3-fluoro-4-[4-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate.
What is the SMILES notation for [(5R)-3-[3-fluoro-4-[4-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate?
The canonical SMILES for [(5R)-3-[3-fluoro-4-[4-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate is CC(=O)OC[C@H]1CN(c2ccc(-c3ccc(C4=NOC(CO)C4)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of [(5R)-3-[3-fluoro-4-[4-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate?
The InChIKey is HJOFDNBUXARZJT-QRWMCTBCSA-N. The full InChI is InChI=1S/C22H21FN2O6/c1-13(27)29-12-18-10-25(22(28)30-18)16-6-7-19(20(23)8-16)14-2-4-15(5-3-14)21-9-17(11-26)31-24-21/h2-8,17-18,26H,9-12H2,1H3/t17?,18-/m1/s1.
What are the key properties of [(5R)-3-[3-fluoro-4-[4-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate?
[(5R)-3-[3-fluoro-4-[4-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate has a molecular weight of 428.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-[3-fluoro-4-[4-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate is sourced from PubChem (CID 59749419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).