(5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one

C16H21F2N5O2Si — CID 123580474

IUPAC(5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one
SMILESC[Si]1(C)CCN(c2c(F)cc(N3C[C@H](CN=[N+]=[N-])OC3=O)cc2F)CC1
InChIInChI=1S/C16H21F2N5O2Si/c1-26(2)5-3-22(4-6-26)15-13(17)7-11(8-14(15)18)23-10-12(9-20-21-19)25-16(23)24/h7-8,12H,3-6,9-10H2,1-2H3/t12-/m0/s1
InChIKeyVFHXYGMDLHAGMN-LBPRGKRZSA-N
MW381.46 g/mol
LogP4.13
Rot. Bonds4

About (5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one

(5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one (PubChem CID 123580474) has the molecular formula C16H21F2N5O2Si and a molecular weight of 381.46 g/mol. Its IUPAC name is (5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one
PubChem CID123580474
Molecular FormulaC16H21F2N5O2Si
Molecular Weight381.46 g/mol
Exact Mass381.14
IUPAC Name(5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one
SMILESC[Si]1(C)CCN(c2c(F)cc(N3C[C@H](CN=[N+]=[N-])OC3=O)cc2F)CC1
InChIInChI=1S/C16H21F2N5O2Si/c1-26(2)5-3-22(4-6-26)15-13(17)7-11(8-14(15)18)23-10-12(9-20-21-19)25-16(23)24/h7-8,12H,3-6,9-10H2,1-2H3/t12-/m0/s1
InChIKeyVFHXYGMDLHAGMN-LBPRGKRZSA-N
XLogP4.13
TPSA81.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 71548966
(5R)-5-(azidomethyl)-3-[4-[4-(1,1-dioxothietan-3-yl)piperidin-1-yl]-3,5-difluorophenyl]-1,3-oxazolidin-2-one
CID 146310344
(5R)-5-(azidomethyl)-3-(3-fluoro-4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
CID 59905900
5-(azidomethyl)-3-[3,5-difluoro-4-(2-thia-7-azabicyclo[2.2.1]heptan-7-yl)phenyl]-1,3-oxazolidin-2-one
CID 166925762
5-(azidomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 58239154
(5R)-5-(azidomethyl)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 58681137
(5R)-5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 11458625
5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 14011262
(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
(5R)-5-(azidomethyl)-3-[3-fluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 58697735
actinium;[3-[3,5-difluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
CID 22943605

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one (CID 123580474) is (5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one is C[Si]1(C)CCN(c2c(F)cc(N3C[C@H](CN=[N+]=[N-])OC3=O)cc2F)CC1.
What is the InChIKey of (5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one?
The InChIKey is VFHXYGMDLHAGMN-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21F2N5O2Si/c1-26(2)5-3-22(4-6-26)15-13(17)7-11(8-14(15)18)23-10-12(9-20-21-19)25-16(23)24/h7-8,12H,3-6,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one?
(5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one has a molecular weight of 381.46 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 123580474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).