1-(2-methoxy-5-nitrophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine

C11H12N4O4 — CID 106399397

IUPAC1-(2-methoxy-5-nitrophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
SMILESCOc1ccc([N+](=O)[O-])cc1CNCc1ncon1
InChIInChI=1S/C11H12N4O4/c1-18-10-3-2-9(15(16)17)4-8(10)5-12-6-11-13-7-19-14-11/h2-4,7,12H,5-6H2,1H3
InChIKeyYMVLUUXYHHAUJR-UHFFFAOYSA-N
MW264.24 g/mol
LogP1.28
Rot. Bonds6

About 1-(2-methoxy-5-nitrophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine

1-(2-methoxy-5-nitrophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine (PubChem CID 106399397) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 1-(2-methoxy-5-nitrophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-methoxy-5-nitrophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
PubChem CID106399397
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name1-(2-methoxy-5-nitrophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
SMILESCOc1ccc([N+](=O)[O-])cc1CNCc1ncon1
InChIInChI=1S/C11H12N4O4/c1-18-10-3-2-9(15(16)17)4-8(10)5-12-6-11-13-7-19-14-11/h2-4,7,12H,5-6H2,1H3
InChIKeyYMVLUUXYHHAUJR-UHFFFAOYSA-N
XLogP1.28
TPSA103.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-(2-methoxy-5-nitrophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine 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

1-(2,4-dinitrophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106398975
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methoxy-5-nitrophenyl)methanamine
CID 78942120
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2-methoxy-5-nitrophenyl)methanamine
CID 106371637
N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine
CID 60702867
1-(2-methoxy-5-nitrophenyl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
CID 114955368
2-methoxy-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
CID 43082616
4-[[(2-methoxy-5-nitrophenyl)methylamino]methyl]phenol
CID 114331736
2,2,2-trifluoro-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
CID 43082654
3-[(2-methoxy-5-nitrophenyl)methylamino]propan-1-ol
CID 43393003
1-cyclopentyl-N-[(2-methoxy-5-nitrophenyl)methyl]methanamine
CID 43371036
3-methoxy-4-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)aniline
CID 106403400
N-[(2-methoxy-5-nitrophenyl)methyl]acetamide
CID 20650534

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-nitrophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The IUPAC name of 1-(2-methoxy-5-nitrophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine (CID 106399397) is 1-(2-methoxy-5-nitrophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-methoxy-5-nitrophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The canonical SMILES for 1-(2-methoxy-5-nitrophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine is COc1ccc([N+](=O)[O-])cc1CNCc1ncon1.
What is the InChIKey of 1-(2-methoxy-5-nitrophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The InChIKey is YMVLUUXYHHAUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-18-10-3-2-9(15(16)17)4-8(10)5-12-6-11-13-7-19-14-11/h2-4,7,12H,5-6H2,1H3.
What are the key properties of 1-(2-methoxy-5-nitrophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
1-(2-methoxy-5-nitrophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine has a molecular weight of 264.24 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-nitrophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine is sourced from PubChem (CID 106399397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).