(5R)-3-[3-fluoro-4-[methyl(propyl)amino]phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one

C15H22FN2O2P — CID 58361782

IUPAC(5R)-3-[3-fluoro-4-[methyl(propyl)amino]phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one
SMILESCCCN(C)c1ccc(N2C[C@H](CPC)OC2=O)cc1F
InChIInChI=1S/C15H22FN2O2P/c1-4-7-17(2)14-6-5-11(8-13(14)16)18-9-12(10-21-3)20-15(18)19/h5-6,8,12,21H,4,7,9-10H2,1-3H3/t12-/m1/s1
InChIKeyATGNVMGVMGANHW-GFCCVEGCSA-N
MW312.33 g/mol
LogP3.31
Rot. Bonds6

About (5R)-3-[3-fluoro-4-[methyl(propyl)amino]phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one

(5R)-3-[3-fluoro-4-[methyl(propyl)amino]phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one (PubChem CID 58361782) has the molecular formula C15H22FN2O2P and a molecular weight of 312.33 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[methyl(propyl)amino]phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-[methyl(propyl)amino]phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one
PubChem CID58361782
Molecular FormulaC15H22FN2O2P
Molecular Weight312.33 g/mol
Exact Mass312.14
IUPAC Name(5R)-3-[3-fluoro-4-[methyl(propyl)amino]phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one
SMILESCCCN(C)c1ccc(N2C[C@H](CPC)OC2=O)cc1F
InChIInChI=1S/C15H22FN2O2P/c1-4-7-17(2)14-6-5-11(8-13(14)16)18-9-12(10-21-3)20-15(18)19/h5-6,8,12,21H,4,7,9-10H2,1-3H3/t12-/m1/s1
InChIKeyATGNVMGVMGANHW-GFCCVEGCSA-N
XLogP3.31
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[3-[4-[ethyl(2-propan-2-yloxyethyl)amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylphosphinous acid
CID 91354985
3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one
CID 76734339
3-[4-(2-ethoxyethylamino)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one
CID 90929049
3-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one
CID 90898439
N-[[(5S)-3-[3-fluoro-4-[methyl-[(2,4,6-trifluorophenyl)methyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 11189918
N-[[3-[4-[ethenyl(propyl)amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 91428391
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
(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
5-(aminomethyl)-3-(3-fluoro-4-pyrrol-1-ylphenyl)-1,3-oxazolidin-2-one
CID 69406859
4-[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide
CID 158139593
(5S)-5-(aminomethyl)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 44607680
3-(4-ethynyl-3-fluorophenyl)-5-hexyl-1,3-oxazolidin-2-one
CID 89014870

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-[methyl(propyl)amino]phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-[methyl(propyl)amino]phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one (CID 58361782) is (5R)-3-[3-fluoro-4-[methyl(propyl)amino]phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3-fluoro-4-[methyl(propyl)amino]phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-[methyl(propyl)amino]phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one is CCCN(C)c1ccc(N2C[C@H](CPC)OC2=O)cc1F.
What is the InChIKey of (5R)-3-[3-fluoro-4-[methyl(propyl)amino]phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is ATGNVMGVMGANHW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22FN2O2P/c1-4-7-17(2)14-6-5-11(8-13(14)16)18-9-12(10-21-3)20-15(18)19/h5-6,8,12,21H,4,7,9-10H2,1-3H3/t12-/m1/s1.
What are the key properties of (5R)-3-[3-fluoro-4-[methyl(propyl)amino]phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-[methyl(propyl)amino]phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 312.33 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-fluoro-4-[methyl(propyl)amino]phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 58361782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).