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

C11H10N2O4 — CID 90429374

IUPAC5-(2-methoxy-4-nitrophenyl)-4-methyl-1,3-oxazole
SMILESCOc1cc([N+](=O)[O-])ccc1-c1ocnc1C
InChIInChI=1S/C11H10N2O4/c1-7-11(17-6-12-7)9-4-3-8(13(14)15)5-10(9)16-2/h3-6H,1-2H3
InChIKeyOFJDUBHZMDGNPX-UHFFFAOYSA-N
MW234.21 g/mol
LogP2.57
Rot. Bonds3

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

5-(2-methoxy-4-nitrophenyl)-4-methyl-1,3-oxazole (PubChem CID 90429374) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 5-(2-methoxy-4-nitrophenyl)-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-(2-methoxy-4-nitrophenyl)-4-methyl-1,3-oxazole
PubChem CID90429374
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name5-(2-methoxy-4-nitrophenyl)-4-methyl-1,3-oxazole
SMILESCOc1cc([N+](=O)[O-])ccc1-c1ocnc1C
InChIInChI=1S/C11H10N2O4/c1-7-11(17-6-12-7)9-4-3-8(13(14)15)5-10(9)16-2/h3-6H,1-2H3
InChIKeyOFJDUBHZMDGNPX-UHFFFAOYSA-N
XLogP2.57
TPSA78.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 52.57
H-Bond Donors ≤ 50
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 5-(2-methoxy-4-nitrophenyl)-4-methyl-1,3-oxazole 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

2-(4-methyl-1,3-oxazol-5-yl)-5-nitrophenol
CID 163540013
5-(2-methoxy-4-nitrophenyl)-4-methyl-1,2-oxazol-3-amine
CID 113452774
2-methoxy-4-nitro-1-(3-nitrophenyl)benzene
CID 91596770
7-methoxy-5-nitro-1,3-benzoxazole
CID 166065729
2-bromo-5-(2-methoxy-4-nitrophenyl)furan
CID 134092642
1-(2-chlorophenyl)-2-methoxy-4-nitrobenzene
CID 134109564
5-(2-methoxy-4-nitrophenyl)-1H-pyrazol-3-amine
CID 113452627
2-methoxy-4-nitrobenzaldehyde
CID 2759599
3-(2-methoxy-4-nitrophenyl)prop-2-enal
CID 169459664
methyl 5-(2-methoxycarbonyl-5-nitrophenyl)-1,3-oxazole-4-carboxylate
CID 12508154
5-(2-methoxy-4-nitrophenyl)furan-2-carboxylic acid
CID 960532
N-[[5-(2-methoxy-4-nitrophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 104785126

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-4-nitrophenyl)-4-methyl-1,3-oxazole?
The IUPAC name of 5-(2-methoxy-4-nitrophenyl)-4-methyl-1,3-oxazole (CID 90429374) is 5-(2-methoxy-4-nitrophenyl)-4-methyl-1,3-oxazole.
What is the SMILES notation for 5-(2-methoxy-4-nitrophenyl)-4-methyl-1,3-oxazole?
The canonical SMILES for 5-(2-methoxy-4-nitrophenyl)-4-methyl-1,3-oxazole is COc1cc([N+](=O)[O-])ccc1-c1ocnc1C.
What is the InChIKey of 5-(2-methoxy-4-nitrophenyl)-4-methyl-1,3-oxazole?
The InChIKey is OFJDUBHZMDGNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-7-11(17-6-12-7)9-4-3-8(13(14)15)5-10(9)16-2/h3-6H,1-2H3.
What are the key properties of 5-(2-methoxy-4-nitrophenyl)-4-methyl-1,3-oxazole?
5-(2-methoxy-4-nitrophenyl)-4-methyl-1,3-oxazole has a molecular weight of 234.21 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-4-nitrophenyl)-4-methyl-1,3-oxazole is sourced from PubChem (CID 90429374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).