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

C12H12N2O4 — CID 166130645

IUPAC4-(2-methoxy-3-nitrophenyl)-2,5-dimethyl-1,3-oxazole
SMILESCOc1c(-c2nc(C)oc2C)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H12N2O4/c1-7-11(13-8(2)18-7)9-5-4-6-10(14(15)16)12(9)17-3/h4-6H,1-3H3
InChIKeyJACCGHFMJPBYFA-UHFFFAOYSA-N
MW248.24 g/mol
LogP2.88
Rot. Bonds3

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

4-(2-methoxy-3-nitrophenyl)-2,5-dimethyl-1,3-oxazole (PubChem CID 166130645) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 4-(2-methoxy-3-nitrophenyl)-2,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name4-(2-methoxy-3-nitrophenyl)-2,5-dimethyl-1,3-oxazole
PubChem CID166130645
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name4-(2-methoxy-3-nitrophenyl)-2,5-dimethyl-1,3-oxazole
SMILESCOc1c(-c2nc(C)oc2C)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H12N2O4/c1-7-11(13-8(2)18-7)9-5-4-6-10(14(15)16)12(9)17-3/h4-6H,1-3H3
InChIKeyJACCGHFMJPBYFA-UHFFFAOYSA-N
XLogP2.88
TPSA78.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 52.88
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'}

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Related Compounds

5-(2-methoxy-3-nitrophenyl)-1-methyl-1,2,4-triazole
CID 90142163
2-(1-chloroethyl)-5-(2-methoxy-3-nitrophenyl)-1,3,4-thiadiazole
CID 113386736
4-(2-methoxy-3-nitrophenyl)benzaldehyde
CID 57483828
potassium 2-methoxy-3-nitrophenol
CID 67083613
5-(3-amino-2-methoxyphenyl)-2-methylfuran-3-carboxylic acid;5-(2-methoxy-3-nitrophenyl)-2-methylfuran-3-carboxylic acid
CID 159745020
ethyl 2-methyl-4-(2-nitrophenyl)-1,3-oxazole-5-carboxylate
CID 153385827
methyl 3-methyl-5-nitroisoquinoline-1-carboxylate
CID 82572089
2-amino-2-[5-(2-methoxy-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633484
2-[4-(2-methoxy-3-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazole
CID 59615691
1-methoxy-2-nitronaphthalene
CID 10899709
1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene
CID 10868487
2-methoxy-3-nitrobenzoyl chloride
CID 21406531

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-3-nitrophenyl)-2,5-dimethyl-1,3-oxazole?
The IUPAC name of 4-(2-methoxy-3-nitrophenyl)-2,5-dimethyl-1,3-oxazole (CID 166130645) is 4-(2-methoxy-3-nitrophenyl)-2,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 4-(2-methoxy-3-nitrophenyl)-2,5-dimethyl-1,3-oxazole?
The canonical SMILES for 4-(2-methoxy-3-nitrophenyl)-2,5-dimethyl-1,3-oxazole is COc1c(-c2nc(C)oc2C)cccc1[N+](=O)[O-].
What is the InChIKey of 4-(2-methoxy-3-nitrophenyl)-2,5-dimethyl-1,3-oxazole?
The InChIKey is JACCGHFMJPBYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-7-11(13-8(2)18-7)9-5-4-6-10(14(15)16)12(9)17-3/h4-6H,1-3H3.
What are the key properties of 4-(2-methoxy-3-nitrophenyl)-2,5-dimethyl-1,3-oxazole?
4-(2-methoxy-3-nitrophenyl)-2,5-dimethyl-1,3-oxazole has a molecular weight of 248.24 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-3-nitrophenyl)-2,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 166130645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).