(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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Related Compounds

4-phenyl-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25207583
N-[[(5S)-3-(3-fluoro-4-indazol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21309532
N-[[3-(3-fluoro-4-indazol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23294659
(5R)-5-[(4-fluorotriazol-1-yl)methyl]-3-(1-propan-2-ylindazol-5-yl)-1,3-oxazolidin-2-one
CID 24738241
(5R)-3-[1-[(2S)-butan-2-yl]-7-fluoroindazol-5-yl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 24738244
1-[1-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 25206296
(R)-1-(1-(oxiran-2-ylmethyl)-1H-indazol-5-yl)-4-(4-(trifluoromethyl)-phenyl)pyridin-2(1H)-one
CID 57625502
(S)-1-(1-(oxiran-2-ylmethyl)-1H-indazol-5-yl)-4-(4-(trifluoromethyl)phenyl)-pyridin-2(1H)-one
CID 57625522
1-[1-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 57625528
3-[5-(5-Amino-1-tritylindazol-3-yl)-2-fluorophenyl]-1,3-oxazolidin-2-one
CID 57686052
3-[2-Fluoro-5-(5-nitro-1-tritylindazol-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 57686345
(R)-1-(1-(2-Hydroxy-3-(pyrrolidin-1-yl)propyl)-1H-indazol-5-yl)-4-(4-(trifluoromethyl)phenyl)pyridin-2(1H)-one hydrochloride
CID 66719416

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).