5-[(3-methyl-5-nitroindazol-1-yl)methyl]-1,3-oxazolidin-2-one

C12H12N4O4 — CID 126798761

IUPAC5-[(3-methyl-5-nitroindazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCc1nn(CC2CNC(=O)O2)c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C12H12N4O4/c1-7-10-4-8(16(18)19)2-3-11(10)15(14-7)6-9-5-13-12(17)20-9/h2-4,9H,5-6H2,1H3,(H,13,17)
InChIKeyOLDUQKLYMRVTOX-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.36
Rot. Bonds3

About 5-[(3-methyl-5-nitroindazol-1-yl)methyl]-1,3-oxazolidin-2-one

5-[(3-methyl-5-nitroindazol-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 126798761) has the molecular formula C12H12N4O4 and a molecular weight of 276.25 g/mol. Its IUPAC name is 5-[(3-methyl-5-nitroindazol-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(3-methyl-5-nitroindazol-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID126798761
Molecular FormulaC12H12N4O4
Molecular Weight276.25 g/mol
Exact Mass276.09
IUPAC Name5-[(3-methyl-5-nitroindazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCc1nn(CC2CNC(=O)O2)c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C12H12N4O4/c1-7-10-4-8(16(18)19)2-3-11(10)15(14-7)6-9-5-13-12(17)20-9/h2-4,9H,5-6H2,1H3,(H,13,17)
InChIKeyOLDUQKLYMRVTOX-UHFFFAOYSA-N
XLogP1.36
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

1-(3-ethoxypropyl)-3-methyl-5-nitroindazole
CID 71916330
3,6-dinitro-9-[[(2R)-oxiran-2-yl]methyl]carbazole
CID 7038016
5-[(4-bromo-3-nitropyrazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 61175870
1-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]-3-methyl-5-nitroindazole
CID 126814575
1-(2-methoxyethyl)-3-methylindazol-5-amine;1-(2-methoxyethyl)-3-methyl-5-nitroindazole;3-methyl-5-nitro-2H-indazole
CID 158522525
5-chloro-3-nitro-1-(oxiran-2-ylmethyl)indazole
CID 76850736
4-(4-methylphenyl)-6-nitro-1-(oxan-2-ylmethyl)quinazolin-2-one
CID 21327508
3-(3-methoxy-5-nitroindazol-1-yl)-N,N-dimethylpropan-1-amine
CID 46228354
2-(3-methoxy-5-nitroindazol-1-yl)-N,N-dimethylethanamine
CID 46228355
(5S)-5-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 66893932
ethane;ethyl hypofluorite;3-methyl-6-nitro-1-propylindazole
CID 143224235
3-iodo-1-(2-methoxyethoxymethyl)-5-nitroindazole
CID 22147941

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-5-nitroindazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(3-methyl-5-nitroindazol-1-yl)methyl]-1,3-oxazolidin-2-one (CID 126798761) is 5-[(3-methyl-5-nitroindazol-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(3-methyl-5-nitroindazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(3-methyl-5-nitroindazol-1-yl)methyl]-1,3-oxazolidin-2-one is Cc1nn(CC2CNC(=O)O2)c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 5-[(3-methyl-5-nitroindazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is OLDUQKLYMRVTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4/c1-7-10-4-8(16(18)19)2-3-11(10)15(14-7)6-9-5-13-12(17)20-9/h2-4,9H,5-6H2,1H3,(H,13,17).
What are the key properties of 5-[(3-methyl-5-nitroindazol-1-yl)methyl]-1,3-oxazolidin-2-one?
5-[(3-methyl-5-nitroindazol-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 276.25 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-5-nitroindazol-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 126798761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).