(5S)-3-[4-[5-(azidomethyl)-2-pyridinyl]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one

C17H16FN5O2 — CID 58045457

IUPAC(5S)-3-[4-[5-(azidomethyl)-2-pyridinyl]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one
SMILESCC[C@H]1CN(c2ccc(-c3ccc(CN=[N+]=[N-])cn3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H16FN5O2/c1-2-13-10-23(17(24)25-13)12-4-5-14(15(18)7-12)16-6-3-11(8-20-16)9-21-22-19/h3-8,13H,2,9-10H2,1H3/t13-/m0/s1
InChIKeyXRHDRAKKHJHNRM-ZDUSSCGKSA-N
MW341.35 g/mol
LogP4.43
Rot. Bonds5

About (5S)-3-[4-[5-(azidomethyl)-2-pyridinyl]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one

(5S)-3-[4-[5-(azidomethyl)-2-pyridinyl]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one (PubChem CID 58045457) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is (5S)-3-[4-[5-(azidomethyl)-2-pyridinyl]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-[4-[5-(azidomethyl)-2-pyridinyl]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one
PubChem CID58045457
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name(5S)-3-[4-[5-(azidomethyl)-2-pyridinyl]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one
SMILESCC[C@H]1CN(c2ccc(-c3ccc(CN=[N+]=[N-])cn3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H16FN5O2/c1-2-13-10-23(17(24)25-13)12-4-5-14(15(18)7-12)16-6-3-11(8-20-16)9-21-22-19/h3-8,13H,2,9-10H2,1H3/t13-/m0/s1
InChIKeyXRHDRAKKHJHNRM-ZDUSSCGKSA-N
XLogP4.43
TPSA91.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(5S)-3-[4-[4-(azidomethyl)phenyl]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one
CID 58045372
(5S)-5-ethyl-3-[4-(4-ethylphenyl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 59264706
(5R)-5-(azidomethyl)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 58681137
N-[[(5S)-3-[4-[4-(azidomethyl)-2-methoxyphenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 173482012
(5R)-5-(azidomethyl)-3-(3-fluoro-4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
CID 59905900
(5S)-5-ethyl-3-[3-fluoro-4-[4-(methylsulfonylmethyl)phenyl]phenyl]-1,3-oxazolidin-2-one
CID 157350922
N-[[(5S)-3-[3-fluoro-4-[5-(3-pyridin-4-ylpropyl)-2-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045433
4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide
CID 158273364
5-ethyl-3-(3-fluoro-4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-1,3-oxazolidin-2-one
CID 160984444
(5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)-1,3-oxazol-2-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 59591361
(5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 71548966
(5S)-3-[4-(2-azidoethyl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 59667582

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[4-[5-(azidomethyl)-2-pyridinyl]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-[4-[5-(azidomethyl)-2-pyridinyl]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one (CID 58045457) is (5S)-3-[4-[5-(azidomethyl)-2-pyridinyl]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-[4-[5-(azidomethyl)-2-pyridinyl]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-[4-[5-(azidomethyl)-2-pyridinyl]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one is CC[C@H]1CN(c2ccc(-c3ccc(CN=[N+]=[N-])cn3)c(F)c2)C(=O)O1.
What is the InChIKey of (5S)-3-[4-[5-(azidomethyl)-2-pyridinyl]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one?
The InChIKey is XRHDRAKKHJHNRM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-2-13-10-23(17(24)25-13)12-4-5-14(15(18)7-12)16-6-3-11(8-20-16)9-21-22-19/h3-8,13H,2,9-10H2,1H3/t13-/m0/s1.
What are the key properties of (5S)-3-[4-[5-(azidomethyl)-2-pyridinyl]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one?
(5S)-3-[4-[5-(azidomethyl)-2-pyridinyl]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one has a molecular weight of 341.35 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[4-[5-(azidomethyl)-2-pyridinyl]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 58045457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).