(5R)-5-(azidomethyl)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one

C12H9FN6O3 — CID 58681137

IUPAC(5R)-5-(azidomethyl)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one
SMILES[N-]=[N+]=NC[C@H]1CN(c2ccc(-c3ncon3)c(F)c2)C(=O)O1
InChIInChI=1S/C12H9FN6O3/c13-10-3-7(1-2-9(10)11-15-6-21-17-11)19-5-8(4-16-18-14)22-12(19)20/h1-3,6,8H,4-5H2/t8-/m0/s1
InChIKeyNXCSLZWLALAWDV-QMMMGPOBSA-N
MW304.24 g/mol
LogP2.51
Rot. Bonds4

About (5R)-5-(azidomethyl)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one

(5R)-5-(azidomethyl)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 58681137) has the molecular formula C12H9FN6O3 and a molecular weight of 304.24 g/mol. Its IUPAC name is (5R)-5-(azidomethyl)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(azidomethyl)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one
PubChem CID58681137
Molecular FormulaC12H9FN6O3
Molecular Weight304.24 g/mol
Exact Mass304.07
IUPAC Name(5R)-5-(azidomethyl)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one
SMILES[N-]=[N+]=NC[C@H]1CN(c2ccc(-c3ncon3)c(F)c2)C(=O)O1
InChIInChI=1S/C12H9FN6O3/c13-10-3-7(1-2-9(10)11-15-6-21-17-11)19-5-8(4-16-18-14)22-12(19)20/h1-3,6,8H,4-5H2/t8-/m0/s1
InChIKeyNXCSLZWLALAWDV-QMMMGPOBSA-N
XLogP2.51
TPSA117.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.24
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

(5R)-5-(azidomethyl)-3-(3-fluoro-4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
CID 59905900
(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-[5-(azidomethyl)-2-pyridinyl]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one
CID 58045457
(5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 59591365
(5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one
CID 123580474
5-(azidomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 58239154
(2,3,4,5,6-pentafluorophenyl) 4-[(5S)-5-(azidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoate
CID 22966216
(5R)-5-(azidomethyl)-3-[3-fluoro-4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 58619742
(5S)-3-[4-[4-(azidomethyl)phenyl]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one
CID 58045372
(5R)-5-(azidomethyl)-3-[3-fluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 58697735
(5R)-5-(azidomethyl)-3-[4-(1,2-oxazol-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 86604589

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(azidomethyl)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(azidomethyl)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one (CID 58681137) is (5R)-5-(azidomethyl)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(azidomethyl)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(azidomethyl)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one is [N-]=[N+]=NC[C@H]1CN(c2ccc(-c3ncon3)c(F)c2)C(=O)O1.
What is the InChIKey of (5R)-5-(azidomethyl)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is NXCSLZWLALAWDV-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H9FN6O3/c13-10-3-7(1-2-9(10)11-15-6-21-17-11)19-5-8(4-16-18-14)22-12(19)20/h1-3,6,8H,4-5H2/t8-/m0/s1.
What are the key properties of (5R)-5-(azidomethyl)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one?
(5R)-5-(azidomethyl)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 304.24 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(azidomethyl)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58681137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).