(5S)-5-(azidomethyl)-3-(1-tritylindazol-5-yl)-1,3-oxazolidin-2-one

C30H24N6O2 — CID 22977310

IUPAC(5S)-5-(azidomethyl)-3-(1-tritylindazol-5-yl)-1,3-oxazolidin-2-one
SMILES[N-]=[N+]=NC[C@@H]1CN(c2ccc3c(cnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)C(=O)O1
InChIInChI=1S/C30H24N6O2/c31-34-32-20-27-21-35(29(37)38-27)26-16-17-28-22(18-26)19-33-36(28)30(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19,27H,20-21H2/t27-/m1/s1
InChIKeyPLUDEBKDXBSJSC-HHHXNRCGSA-N
MW500.56 g/mol
LogP6.51
Rot. Bonds7

About (5S)-5-(azidomethyl)-3-(1-tritylindazol-5-yl)-1,3-oxazolidin-2-one

(5S)-5-(azidomethyl)-3-(1-tritylindazol-5-yl)-1,3-oxazolidin-2-one (PubChem CID 22977310) has the molecular formula C30H24N6O2 and a molecular weight of 500.56 g/mol. Its IUPAC name is (5S)-5-(azidomethyl)-3-(1-tritylindazol-5-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(azidomethyl)-3-(1-tritylindazol-5-yl)-1,3-oxazolidin-2-one
PubChem CID22977310
Molecular FormulaC30H24N6O2
Molecular Weight500.56 g/mol
Exact Mass500.20
IUPAC Name(5S)-5-(azidomethyl)-3-(1-tritylindazol-5-yl)-1,3-oxazolidin-2-one
SMILES[N-]=[N+]=NC[C@@H]1CN(c2ccc3c(cnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)C(=O)O1
InChIInChI=1S/C30H24N6O2/c31-34-32-20-27-21-35(29(37)38-27)26-16-17-28-22(18-26)19-33-36(28)30(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19,27H,20-21H2/t27-/m1/s1
InChIKeyPLUDEBKDXBSJSC-HHHXNRCGSA-N
XLogP6.51
TPSA96.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.56
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(azidomethyl)-3-(1-tritylindazol-5-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(azidomethyl)-3-(1-tritylindazol-5-yl)-1,3-oxazolidin-2-one (CID 22977310) is (5S)-5-(azidomethyl)-3-(1-tritylindazol-5-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(azidomethyl)-3-(1-tritylindazol-5-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(azidomethyl)-3-(1-tritylindazol-5-yl)-1,3-oxazolidin-2-one is [N-]=[N+]=NC[C@@H]1CN(c2ccc3c(cnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)C(=O)O1.
What is the InChIKey of (5S)-5-(azidomethyl)-3-(1-tritylindazol-5-yl)-1,3-oxazolidin-2-one?
The InChIKey is PLUDEBKDXBSJSC-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H24N6O2/c31-34-32-20-27-21-35(29(37)38-27)26-16-17-28-22(18-26)19-33-36(28)30(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19,27H,20-21H2/t27-/m1/s1.
What are the key properties of (5S)-5-(azidomethyl)-3-(1-tritylindazol-5-yl)-1,3-oxazolidin-2-one?
(5S)-5-(azidomethyl)-3-(1-tritylindazol-5-yl)-1,3-oxazolidin-2-one has a molecular weight of 500.56 g/mol, XLogP of 6.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(azidomethyl)-3-(1-tritylindazol-5-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 22977310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).