4-amino-N-(2-methyl-4-nitrophenyl)oxolane-3-carboxamide

C12H15N3O4 — CID 66240231

IUPAC4-amino-N-(2-methyl-4-nitrophenyl)oxolane-3-carboxamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)C1COCC1N
InChIInChI=1S/C12H15N3O4/c1-7-4-8(15(17)18)2-3-11(7)14-12(16)9-5-19-6-10(9)13/h2-4,9-10H,5-6,13H2,1H3,(H,14,16)
InChIKeyWLRRMINOZDPOLI-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.82
Rot. Bonds3

About 4-amino-N-(2-methyl-4-nitrophenyl)oxolane-3-carboxamide

4-amino-N-(2-methyl-4-nitrophenyl)oxolane-3-carboxamide (PubChem CID 66240231) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-amino-N-(2-methyl-4-nitrophenyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methyl-4-nitrophenyl)oxolane-3-carboxamide
PubChem CID66240231
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name4-amino-N-(2-methyl-4-nitrophenyl)oxolane-3-carboxamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)C1COCC1N
InChIInChI=1S/C12H15N3O4/c1-7-4-8(15(17)18)2-3-11(7)14-12(16)9-5-19-6-10(9)13/h2-4,9-10H,5-6,13H2,1H3,(H,14,16)
InChIKeyWLRRMINOZDPOLI-UHFFFAOYSA-N
XLogP0.82
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-amino-N-(2-methyl-4-nitrophenyl)cyclopentane-1-carboxamide
CID 64824134
4-amino-N-(4-methyl-2-nitrophenyl)oxolane-3-carboxamide
CID 66239839
N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide
CID 2792229
cis-(1S,2R)-2-[(2-methyl-4-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93366490
6-[(2-methyl-4-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 45331123
4-(methylamino)-N-(2-methyl-5-nitrophenyl)oxolane-3-carboxamide
CID 66267175
4-amino-N-(5-bromo-2-methylphenyl)oxolane-3-carboxamide
CID 66238442
(1R,2S,3R,4S)-3-[(2-methyl-4-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 11900686
4-amino-N-(3-methoxy-2,4-dimethylphenyl)oxolane-3-carboxamide
CID 66239016
4-amino-N-(2-chloro-3-methylphenyl)oxolane-3-carboxamide
CID 114252127
(2-methyl-4-nitrophenyl)thiourea
CID 3723044
N-(2-methyl-4-nitrophenyl)piperidine-2-carboxamide
CID 43708505

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methyl-4-nitrophenyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(2-methyl-4-nitrophenyl)oxolane-3-carboxamide (CID 66240231) is 4-amino-N-(2-methyl-4-nitrophenyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methyl-4-nitrophenyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-methyl-4-nitrophenyl)oxolane-3-carboxamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)C1COCC1N.
What is the InChIKey of 4-amino-N-(2-methyl-4-nitrophenyl)oxolane-3-carboxamide?
The InChIKey is WLRRMINOZDPOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-7-4-8(15(17)18)2-3-11(7)14-12(16)9-5-19-6-10(9)13/h2-4,9-10H,5-6,13H2,1H3,(H,14,16).
What are the key properties of 4-amino-N-(2-methyl-4-nitrophenyl)oxolane-3-carboxamide?
4-amino-N-(2-methyl-4-nitrophenyl)oxolane-3-carboxamide has a molecular weight of 265.27 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methyl-4-nitrophenyl)oxolane-3-carboxamide is sourced from PubChem (CID 66240231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).