(5R)-3-[4-[3-(dimethylphosphoryloxymethyl)-1,2-oxazol-5-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C18H19FN5O5P — CID 58625198

IUPAC(5R)-3-[4-[3-(dimethylphosphoryloxymethyl)-1,2-oxazol-5-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCP(C)(=O)OCc1cc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)on1
InChIInChI=1S/C18H19FN5O5P/c1-30(2,26)27-11-12-7-17(29-21-12)15-4-3-13(8-16(15)19)24-10-14(28-18(24)25)9-23-6-5-20-22-23/h3-8,14H,9-11H2,1-2H3/t14-/m0/s1
InChIKeyPQNXDAKQDWWQRC-AWEZNQCLSA-N
MW435.35 g/mol
LogP3.15
Rot. Bonds7

About (5R)-3-[4-[3-(dimethylphosphoryloxymethyl)-1,2-oxazol-5-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-[4-[3-(dimethylphosphoryloxymethyl)-1,2-oxazol-5-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 58625198) has the molecular formula C18H19FN5O5P and a molecular weight of 435.35 g/mol. Its IUPAC name is (5R)-3-[4-[3-(dimethylphosphoryloxymethyl)-1,2-oxazol-5-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[4-[3-(dimethylphosphoryloxymethyl)-1,2-oxazol-5-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID58625198
Molecular FormulaC18H19FN5O5P
Molecular Weight435.35 g/mol
Exact Mass435.11
IUPAC Name(5R)-3-[4-[3-(dimethylphosphoryloxymethyl)-1,2-oxazol-5-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCP(C)(=O)OCc1cc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)on1
InChIInChI=1S/C18H19FN5O5P/c1-30(2,26)27-11-12-7-17(29-21-12)15-4-3-13(8-16(15)19)24-10-14(28-18(24)25)9-23-6-5-20-22-23/h3-8,14H,9-11H2,1-2H3/t14-/m0/s1
InChIKeyPQNXDAKQDWWQRC-AWEZNQCLSA-N
XLogP3.15
TPSA112.58 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-[3-(dimethylphosphoryloxymethyl)-1,2-oxazol-5-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[4-[3-(dimethylphosphoryloxymethyl)-1,2-oxazol-5-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 58625198) is (5R)-3-[4-[3-(dimethylphosphoryloxymethyl)-1,2-oxazol-5-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[4-[3-(dimethylphosphoryloxymethyl)-1,2-oxazol-5-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[4-[3-(dimethylphosphoryloxymethyl)-1,2-oxazol-5-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is CP(C)(=O)OCc1cc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)on1.
What is the InChIKey of (5R)-3-[4-[3-(dimethylphosphoryloxymethyl)-1,2-oxazol-5-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is PQNXDAKQDWWQRC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19FN5O5P/c1-30(2,26)27-11-12-7-17(29-21-12)15-4-3-13(8-16(15)19)24-10-14(28-18(24)25)9-23-6-5-20-22-23/h3-8,14H,9-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (5R)-3-[4-[3-(dimethylphosphoryloxymethyl)-1,2-oxazol-5-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[4-[3-(dimethylphosphoryloxymethyl)-1,2-oxazol-5-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 435.35 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[4-[3-(dimethylphosphoryloxymethyl)-1,2-oxazol-5-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 58625198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).