5-benzyl-5-[[4-[2-(5-nitroindazol-2-yl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione

C26H22N4O6 — CID 46176151

IUPAC5-benzyl-5-[[4-[2-(5-nitroindazol-2-yl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccccc2)(Cc2ccc(OCCn3cc4cc([N+](=O)[O-])ccc4n3)cc2)O1
InChIInChI=1S/C26H22N4O6/c31-24-26(36-25(32)27-24,15-18-4-2-1-3-5-18)16-19-6-9-22(10-7-19)35-13-12-29-17-20-14-21(30(33)34)8-11-23(20)28-29/h1-11,14,17H,12-13,15-16H2,(H,27,31,32)
InChIKeyAYTCBHGFUWAXLK-UHFFFAOYSA-N
MW486.48 g/mol
LogP3.81
Rot. Bonds9

About 5-benzyl-5-[[4-[2-(5-nitroindazol-2-yl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione

5-benzyl-5-[[4-[2-(5-nitroindazol-2-yl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 46176151) has the molecular formula C26H22N4O6 and a molecular weight of 486.48 g/mol. Its IUPAC name is 5-benzyl-5-[[4-[2-(5-nitroindazol-2-yl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-5-[[4-[2-(5-nitroindazol-2-yl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione
PubChem CID46176151
Molecular FormulaC26H22N4O6
Molecular Weight486.48 g/mol
Exact Mass486.15
IUPAC Name5-benzyl-5-[[4-[2-(5-nitroindazol-2-yl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccccc2)(Cc2ccc(OCCn3cc4cc([N+](=O)[O-])ccc4n3)cc2)O1
InChIInChI=1S/C26H22N4O6/c31-24-26(36-25(32)27-24,15-18-4-2-1-3-5-18)16-19-6-9-22(10-7-19)35-13-12-29-17-20-14-21(30(33)34)8-11-23(20)28-29/h1-11,14,17H,12-13,15-16H2,(H,27,31,32)
InChIKeyAYTCBHGFUWAXLK-UHFFFAOYSA-N
XLogP3.81
TPSA125.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-nitro-2-(4-phenylbutyl)indazole
CID 66776382
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CID 46175712
2-(5-nitroindazol-2-yl)ethyl methanesulfonate
CID 118253023
trimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane
CID 11637903
4-[2-(5-nitroindazol-2-yl)ethyl]morpholine
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CID 107345719
1-nitro-3-(2-phenoxyethyl)benzene
CID 54538108
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
3-[3-(4-nitrophenoxy)propylsulfanyl]-4-(2-phenylethyl)-1H-1,2,4-triazol-5-one
CID 60529254
1-[2-(4-nitrophenoxy)ethyl]triazole
CID 18516987
6-nitro-N-(2-phenoxyethyl)-1,3-benzothiazol-2-amine
CID 53297729
3-(4-nitrophenoxy)-1-phenylpropan-1-amine
CID 173162895

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-5-[[4-[2-(5-nitroindazol-2-yl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-benzyl-5-[[4-[2-(5-nitroindazol-2-yl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione (CID 46176151) is 5-benzyl-5-[[4-[2-(5-nitroindazol-2-yl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-benzyl-5-[[4-[2-(5-nitroindazol-2-yl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-benzyl-5-[[4-[2-(5-nitroindazol-2-yl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione is O=C1NC(=O)C(Cc2ccccc2)(Cc2ccc(OCCn3cc4cc([N+](=O)[O-])ccc4n3)cc2)O1.
What is the InChIKey of 5-benzyl-5-[[4-[2-(5-nitroindazol-2-yl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is AYTCBHGFUWAXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O6/c31-24-26(36-25(32)27-24,15-18-4-2-1-3-5-18)16-19-6-9-22(10-7-19)35-13-12-29-17-20-14-21(30(33)34)8-11-23(20)28-29/h1-11,14,17H,12-13,15-16H2,(H,27,31,32).
What are the key properties of 5-benzyl-5-[[4-[2-(5-nitroindazol-2-yl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione?
5-benzyl-5-[[4-[2-(5-nitroindazol-2-yl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 486.48 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-5-[[4-[2-(5-nitroindazol-2-yl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 46176151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).