[2-(5-methyl-2-nitrophenyl)-1,3-oxazol-4-yl]methanamine

C11H11N3O3 — CID 65461245

IUPAC[2-(5-methyl-2-nitrophenyl)-1,3-oxazol-4-yl]methanamine
SMILESCc1ccc([N+](=O)[O-])c(-c2nc(CN)co2)c1
InChIInChI=1S/C11H11N3O3/c1-7-2-3-10(14(15)16)9(4-7)11-13-8(5-12)6-17-11/h2-4,6H,5,12H2,1H3
InChIKeyMDNWXTZZNWWPLM-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.02
Rot. Bonds3

About [2-(5-methyl-2-nitrophenyl)-1,3-oxazol-4-yl]methanamine

[2-(5-methyl-2-nitrophenyl)-1,3-oxazol-4-yl]methanamine (PubChem CID 65461245) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is [2-(5-methyl-2-nitrophenyl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(5-methyl-2-nitrophenyl)-1,3-oxazol-4-yl]methanamine
PubChem CID65461245
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name[2-(5-methyl-2-nitrophenyl)-1,3-oxazol-4-yl]methanamine
SMILESCc1ccc([N+](=O)[O-])c(-c2nc(CN)co2)c1
InChIInChI=1S/C11H11N3O3/c1-7-2-3-10(14(15)16)9(4-7)11-13-8(5-12)6-17-11/h2-4,6H,5,12H2,1H3
InChIKeyMDNWXTZZNWWPLM-UHFFFAOYSA-N
XLogP2.02
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
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'}

Analyze [2-(5-methyl-2-nitrophenyl)-1,3-oxazol-4-yl]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

N-[[2-(5-methyl-2-nitrophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 65453927
2-[5-(5-methyl-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 65462851
5-(5-methyl-2-nitrophenyl)-1,3,4-oxadiazol-2-amine
CID 65461215
4-methyl-2-(4-methylphenyl)-1-nitrobenzene
CID 57163038
1-[5-(5-methyl-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 65463046
1-[5-(5-methyl-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 65462850
N-[[2-(2-nitrophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 65287934
N-[[2-(2-nitrophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 65288433
2-[4-(5-methyl-2-nitrophenyl)phenyl]ethanamine
CID 82039501
N-[[2-(2-nitrophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 65288571
4-(chloromethyl)-2-(3-methyl-2-nitrophenyl)-1,3-oxazole
CID 54887697
4-(methoxymethyl)-2-(5-methyl-2-nitrophenyl)-1,3-oxazole-5-carboxylic acid
CID 114373878

Frequently Asked Questions

What is the IUPAC name of [2-(5-methyl-2-nitrophenyl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [2-(5-methyl-2-nitrophenyl)-1,3-oxazol-4-yl]methanamine (CID 65461245) is [2-(5-methyl-2-nitrophenyl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [2-(5-methyl-2-nitrophenyl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [2-(5-methyl-2-nitrophenyl)-1,3-oxazol-4-yl]methanamine is Cc1ccc([N+](=O)[O-])c(-c2nc(CN)co2)c1.
What is the InChIKey of [2-(5-methyl-2-nitrophenyl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is MDNWXTZZNWWPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-7-2-3-10(14(15)16)9(4-7)11-13-8(5-12)6-17-11/h2-4,6H,5,12H2,1H3.
What are the key properties of [2-(5-methyl-2-nitrophenyl)-1,3-oxazol-4-yl]methanamine?
[2-(5-methyl-2-nitrophenyl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 233.23 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methyl-2-nitrophenyl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 65461245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).