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

C16H22FN5O2Si — CID 71548966

IUPAC(5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
SMILESC[Si]1(C)CCN(c2ccc(N3C[C@H](CN=[N+]=[N-])OC3=O)cc2F)CC1
InChIInChI=1S/C16H22FN5O2Si/c1-25(2)7-5-21(6-8-25)15-4-3-12(9-14(15)17)22-11-13(10-19-20-18)24-16(22)23/h3-4,9,13H,5-8,10-11H2,1-2H3/t13-/m0/s1
InChIKeyXATSYNZYRBBSBC-ZDUSSCGKSA-N
MW363.47 g/mol
LogP3.99
Rot. Bonds4

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

(5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one (PubChem CID 71548966) has the molecular formula C16H22FN5O2Si and a molecular weight of 363.47 g/mol. Its IUPAC name is (5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
PubChem CID71548966
Molecular FormulaC16H22FN5O2Si
Molecular Weight363.47 g/mol
Exact Mass363.15
IUPAC Name(5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
SMILESC[Si]1(C)CCN(c2ccc(N3C[C@H](CN=[N+]=[N-])OC3=O)cc2F)CC1
InChIInChI=1S/C16H22FN5O2Si/c1-25(2)7-5-21(6-8-25)15-4-3-12(9-14(15)17)22-11-13(10-19-20-18)24-16(22)23/h3-4,9,13H,5-8,10-11H2,1-2H3/t13-/m0/s1
InChIKeyXATSYNZYRBBSBC-ZDUSSCGKSA-N
XLogP3.99
TPSA81.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.99
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)-3,5-difluorophenyl]-1,3-oxazolidin-2-one
CID 123580474
(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 158399329
(5R)-5-(azidomethyl)-3-(3-fluoro-4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
CID 59905900
(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
5-(azidomethyl)-3-[3-fluoro-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]-1,3-oxazolidin-2-one
CID 139776509
(5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 59591365
(5S)-5-(azidomethyl)-3-(3-fluoro-4-indol-1-ylphenyl)-1,3-oxazolidin-2-one
CID 21309535
(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]phenyl]-1,3-oxazolidin-2-one
CID 139799634
(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]phenyl]-1,3-oxazolidin-2-one
CID 10151641
5-(azidomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 58239154
5-(azidomethyl)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 18378824

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one (CID 71548966) is (5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3-fluorophenyl]-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-fluorophenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one is C[Si]1(C)CCN(c2ccc(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-fluorophenyl]-1,3-oxazolidin-2-one?
The InChIKey is XATSYNZYRBBSBC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22FN5O2Si/c1-25(2)7-5-21(6-8-25)15-4-3-12(9-14(15)17)22-11-13(10-19-20-18)24-16(22)23/h3-4,9,13H,5-8,10-11H2,1-2H3/t13-/m0/s1.
What are the key properties of (5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one?
(5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one has a molecular weight of 363.47 g/mol, XLogP of 3.99, 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-fluorophenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71548966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).