(5R)-5-(azidomethyl)-3-[4-[(1S,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(diethylamino)propyl]phenyl]-1,3-oxazolidin-2-one

C29H53N5O4Si2 — CID 58756479

IUPAC(5R)-5-(azidomethyl)-3-[4-[(1S,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(diethylamino)propyl]phenyl]-1,3-oxazolidin-2-one
SMILESCCN(CC)[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(N2C[C@H](CN=[N+]=[N-])OC2=O)cc1
InChIInChI=1S/C29H53N5O4Si2/c1-13-33(14-2)25(21-36-39(9,10)28(3,4)5)26(38-40(11,12)29(6,7)8)22-15-17-23(18-16-22)34-20-24(19-31-32-30)37-27(34)35/h15-18,24-26H,13-14,19-21H2,1-12H3/t24-,25+,26-/m0/s1
InChIKeyOTDKJDPAWXUPMZ-NXCFDTQHSA-N
MW591.95 g/mol
LogP8.12
Rot. Bonds13

About (5R)-5-(azidomethyl)-3-[4-[(1S,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(diethylamino)propyl]phenyl]-1,3-oxazolidin-2-one

(5R)-5-(azidomethyl)-3-[4-[(1S,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(diethylamino)propyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 58756479) has the molecular formula C29H53N5O4Si2 and a molecular weight of 591.95 g/mol. Its IUPAC name is (5R)-5-(azidomethyl)-3-[4-[(1S,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(diethylamino)propyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(azidomethyl)-3-[4-[(1S,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(diethylamino)propyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID58756479
Molecular FormulaC29H53N5O4Si2
Molecular Weight591.95 g/mol
Exact Mass591.36
IUPAC Name(5R)-5-(azidomethyl)-3-[4-[(1S,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(diethylamino)propyl]phenyl]-1,3-oxazolidin-2-one
SMILESCCN(CC)[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(N2C[C@H](CN=[N+]=[N-])OC2=O)cc1
InChIInChI=1S/C29H53N5O4Si2/c1-13-33(14-2)25(21-36-39(9,10)28(3,4)5)26(38-40(11,12)29(6,7)8)22-15-17-23(18-16-22)34-20-24(19-31-32-30)37-27(34)35/h15-18,24-26H,13-14,19-21H2,1-12H3/t24-,25+,26-/m0/s1
InChIKeyOTDKJDPAWXUPMZ-NXCFDTQHSA-N
XLogP8.12
TPSA100.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.95
LogP ≤ 58.12
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(azidomethyl)-3-[4-[(1S,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(diethylamino)propyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(azidomethyl)-3-[4-[(1S,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(diethylamino)propyl]phenyl]-1,3-oxazolidin-2-one (CID 58756479) is (5R)-5-(azidomethyl)-3-[4-[(1S,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(diethylamino)propyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(azidomethyl)-3-[4-[(1S,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(diethylamino)propyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(azidomethyl)-3-[4-[(1S,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(diethylamino)propyl]phenyl]-1,3-oxazolidin-2-one is CCN(CC)[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(N2C[C@H](CN=[N+]=[N-])OC2=O)cc1.
What is the InChIKey of (5R)-5-(azidomethyl)-3-[4-[(1S,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(diethylamino)propyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is OTDKJDPAWXUPMZ-NXCFDTQHSA-N. The full InChI is InChI=1S/C29H53N5O4Si2/c1-13-33(14-2)25(21-36-39(9,10)28(3,4)5)26(38-40(11,12)29(6,7)8)22-15-17-23(18-16-22)34-20-24(19-31-32-30)37-27(34)35/h15-18,24-26H,13-14,19-21H2,1-12H3/t24-,25+,26-/m0/s1.
What are the key properties of (5R)-5-(azidomethyl)-3-[4-[(1S,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(diethylamino)propyl]phenyl]-1,3-oxazolidin-2-one?
(5R)-5-(azidomethyl)-3-[4-[(1S,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(diethylamino)propyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 591.95 g/mol, XLogP of 8.12, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(azidomethyl)-3-[4-[(1S,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(diethylamino)propyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58756479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).