5-(2-methoxy-4-nitrophenyl)-4-methyl-1,2-oxazol-3-amine

C11H11N3O4 — CID 113452774

IUPAC5-(2-methoxy-4-nitrophenyl)-4-methyl-1,2-oxazol-3-amine
SMILESCOc1cc([N+](=O)[O-])ccc1-c1onc(N)c1C
InChIInChI=1S/C11H11N3O4/c1-6-10(18-13-11(6)12)8-4-3-7(14(15)16)5-9(8)17-2/h3-5H,1-2H3,(H2,12,13)
InChIKeyYFQULKWRCDNOMM-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.15
Rot. Bonds3

About 5-(2-methoxy-4-nitrophenyl)-4-methyl-1,2-oxazol-3-amine

5-(2-methoxy-4-nitrophenyl)-4-methyl-1,2-oxazol-3-amine (PubChem CID 113452774) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 5-(2-methoxy-4-nitrophenyl)-4-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-methoxy-4-nitrophenyl)-4-methyl-1,2-oxazol-3-amine
PubChem CID113452774
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name5-(2-methoxy-4-nitrophenyl)-4-methyl-1,2-oxazol-3-amine
SMILESCOc1cc([N+](=O)[O-])ccc1-c1onc(N)c1C
InChIInChI=1S/C11H11N3O4/c1-6-10(18-13-11(6)12)8-4-3-7(14(15)16)5-9(8)17-2/h3-5H,1-2H3,(H2,12,13)
InChIKeyYFQULKWRCDNOMM-UHFFFAOYSA-N
XLogP2.15
TPSA104.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.15
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

5-(2-methoxy-4-nitrophenyl)-4-methyl-1,3-oxazole
CID 90429374
5-(2-methoxy-4-nitrophenyl)-1H-pyrazol-3-amine
CID 113452627
5-(2-methoxy-4-nitrophenyl)-1H-1,2,4-triazol-3-amine
CID 104783357
3-(chloromethyl)-5-(2-methoxy-4-nitrophenyl)-1,2,4-oxadiazole
CID 113452634
5-(2-methoxy-4-nitrophenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 104784413
1-[5-(2-methoxy-4-nitrophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104784397
2-methoxy-4-nitro-1-(3-nitrophenyl)benzene
CID 91596770
3-amino-5-(2-methoxy-4-nitrophenyl)-4-methylthiophene-2-carboxylic acid
CID 104783575
2-bromo-5-(2-methoxy-4-nitrophenyl)furan
CID 134092642
1-(2-chlorophenyl)-2-methoxy-4-nitrobenzene
CID 134109564
2-methoxy-4-nitrobenzaldehyde
CID 2759599
aniline;2-methoxy-4-nitroaniline
CID 154966148

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-4-nitrophenyl)-4-methyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-methoxy-4-nitrophenyl)-4-methyl-1,2-oxazol-3-amine (CID 113452774) is 5-(2-methoxy-4-nitrophenyl)-4-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-methoxy-4-nitrophenyl)-4-methyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-methoxy-4-nitrophenyl)-4-methyl-1,2-oxazol-3-amine is COc1cc([N+](=O)[O-])ccc1-c1onc(N)c1C.
What is the InChIKey of 5-(2-methoxy-4-nitrophenyl)-4-methyl-1,2-oxazol-3-amine?
The InChIKey is YFQULKWRCDNOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-6-10(18-13-11(6)12)8-4-3-7(14(15)16)5-9(8)17-2/h3-5H,1-2H3,(H2,12,13).
What are the key properties of 5-(2-methoxy-4-nitrophenyl)-4-methyl-1,2-oxazol-3-amine?
5-(2-methoxy-4-nitrophenyl)-4-methyl-1,2-oxazol-3-amine has a molecular weight of 249.23 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-4-nitrophenyl)-4-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 113452774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).