N'-(4-nitrophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide

C13H15N3O5 — CID 7323851

IUPACN'-(4-nitrophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
SMILESO=C(NC[C@@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H15N3O5/c17-12(14-8-11-2-1-7-21-11)13(18)15-9-3-5-10(6-4-9)16(19)20/h3-6,11H,1-2,7-8H2,(H,14,17)(H,15,18)/t11-/m0/s1
InChIKeyZGWVXVSSOFVVGO-NSHDSACASA-N
MW293.28 g/mol
LogP0.83
Rot. Bonds4

About N'-(4-nitrophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide

N'-(4-nitrophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide (PubChem CID 7323851) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is N'-(4-nitrophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(4-nitrophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
PubChem CID7323851
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC NameN'-(4-nitrophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
SMILESO=C(NC[C@@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H15N3O5/c17-12(14-8-11-2-1-7-21-11)13(18)15-9-3-5-10(6-4-9)16(19)20/h3-6,11H,1-2,7-8H2,(H,14,17)(H,15,18)/t11-/m0/s1
InChIKeyZGWVXVSSOFVVGO-NSHDSACASA-N
XLogP0.83
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(4-nitrophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7379139
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
(Z)-2-cyano-N-(4-nitrophenyl)-3-(oxolan-2-ylmethylamino)prop-2-enamide
CID 108852925
N-[[(2R)-oxolan-2-yl]methyl]-N'-pyridin-4-yloxamide
CID 41453086
N'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 2037808
N'-[4-(dimethylamino)phenyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7585533
[(2S)-oxolan-2-yl]methyl N-(4-nitrophenyl)carbamate
CID 7126263
4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17205794
5-nitro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-pyrrolidin-1-ylbenzamide
CID 55524469
(2S)-2-(4-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 894829
N-(oxolan-2-ylmethyl)-N'-(4-propoxyphenyl)oxamide
CID 2926686
N'-(3-chloro-4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7256111

Frequently Asked Questions

What is the IUPAC name of N'-(4-nitrophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide?
The IUPAC name of N'-(4-nitrophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide (CID 7323851) is N'-(4-nitrophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide.
What is the SMILES notation for N'-(4-nitrophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide?
The canonical SMILES for N'-(4-nitrophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide is O=C(NC[C@@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-(4-nitrophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide?
The InChIKey is ZGWVXVSSOFVVGO-NSHDSACASA-N. The full InChI is InChI=1S/C13H15N3O5/c17-12(14-8-11-2-1-7-21-11)13(18)15-9-3-5-10(6-4-9)16(19)20/h3-6,11H,1-2,7-8H2,(H,14,17)(H,15,18)/t11-/m0/s1.
What are the key properties of N'-(4-nitrophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide?
N'-(4-nitrophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide has a molecular weight of 293.28 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-nitrophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide is sourced from PubChem (CID 7323851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).