(5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1,3-oxazolidin-2-one

C22H23F2N3O6 — CID 10050028

IUPAC(5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1,3-oxazolidin-2-one
SMILESCOCOC[C@H]1CN(c2ccc(-c3ccc(N4C[C@H](CN)OC4=O)cc3F)c(F)c2)C(=O)O1
InChIInChI=1S/C22H23F2N3O6/c1-30-12-31-11-16-10-27(22(29)33-16)14-3-5-18(20(24)7-14)17-4-2-13(6-19(17)23)26-9-15(8-25)32-21(26)28/h2-7,15-16H,8-12,25H2,1H3/t15-,16+/m0/s1
InChIKeyVAKOIATZQRPMQN-JKSUJKDBSA-N
MW463.44 g/mol
LogP2.86
Rot. Bonds8

About (5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1,3-oxazolidin-2-one

(5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 10050028) has the molecular formula C22H23F2N3O6 and a molecular weight of 463.44 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID10050028
Molecular FormulaC22H23F2N3O6
Molecular Weight463.44 g/mol
Exact Mass463.16
IUPAC Name(5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1,3-oxazolidin-2-one
SMILESCOCOC[C@H]1CN(c2ccc(-c3ccc(N4C[C@H](CN)OC4=O)cc3F)c(F)c2)C(=O)O1
InChIInChI=1S/C22H23F2N3O6/c1-30-12-31-11-16-10-27(22(29)33-16)14-3-5-18(20(24)7-14)17-4-2-13(6-19(17)23)26-9-15(8-25)32-21(26)28/h2-7,15-16H,8-12,25H2,1H3/t15-,16+/m0/s1
InChIKeyVAKOIATZQRPMQN-JKSUJKDBSA-N
XLogP2.86
TPSA103.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1,3-oxazolidin-2-one (CID 10050028) is (5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1,3-oxazolidin-2-one is COCOC[C@H]1CN(c2ccc(-c3ccc(N4C[C@H](CN)OC4=O)cc3F)c(F)c2)C(=O)O1.
What is the InChIKey of (5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is VAKOIATZQRPMQN-JKSUJKDBSA-N. The full InChI is InChI=1S/C22H23F2N3O6/c1-30-12-31-11-16-10-27(22(29)33-16)14-3-5-18(20(24)7-14)17-4-2-13(6-19(17)23)26-9-15(8-25)32-21(26)28/h2-7,15-16H,8-12,25H2,1H3/t15-,16+/m0/s1.
What are the key properties of (5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1,3-oxazolidin-2-one?
(5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 463.44 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10050028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).