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

C10H8N2O4 — CID 154683649

IUPAC5-methoxy-3-(3-nitrophenyl)-1,2-oxazole
SMILESCOc1cc(-c2cccc([N+](=O)[O-])c2)no1
InChIInChI=1S/C10H8N2O4/c1-15-10-6-9(11-16-10)7-3-2-4-8(5-7)12(13)14/h2-6H,1H3
InChIKeyPMHUTZYNLHESAH-UHFFFAOYSA-N
MW220.18 g/mol
LogP2.26
Rot. Bonds3

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

5-methoxy-3-(3-nitrophenyl)-1,2-oxazole (PubChem CID 154683649) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 5-methoxy-3-(3-nitrophenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-methoxy-3-(3-nitrophenyl)-1,2-oxazole
PubChem CID154683649
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name5-methoxy-3-(3-nitrophenyl)-1,2-oxazole
SMILESCOc1cc(-c2cccc([N+](=O)[O-])c2)no1
InChIInChI=1S/C10H8N2O4/c1-15-10-6-9(11-16-10)7-3-2-4-8(5-7)12(13)14/h2-6H,1H3
InChIKeyPMHUTZYNLHESAH-UHFFFAOYSA-N
XLogP2.26
TPSA78.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 52.26
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

3-(3-nitrophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 169224083
3-(3-nitrophenyl)-1,2-oxazol-5-amine
CID 20983345
3-(5-methoxy-1,2-oxazol-3-yl)aniline
CID 154683547
3-(4-methoxyphenyl)-5-(3-nitrophenyl)-1,2,4-oxadiazole
CID 883697
2-(3-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 8963369
3-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)-5-(3-nitrophenyl)-1,2-oxazole
CID 175588487
methyl 4-bromo-5-(3-nitrophenyl)-1,2-oxazole-3-carboxylate
CID 16735808
5-(3-nitrophenyl)-1,2,4-oxadiazol-3-amine
CID 63692611
4-(3-nitrophenyl)-2-oxido-1,2,5-oxadiazol-2-ium
CID 134105251
5-(4-methylphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 877489
2-methoxy-4-nitro-1-(3-nitrophenyl)benzene
CID 91596770
methyl 3-nitro-5-(3-nitrophenyl)-1,2-oxazole-4-carboxylate
CID 122207396

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(3-nitrophenyl)-1,2-oxazole?
The IUPAC name of 5-methoxy-3-(3-nitrophenyl)-1,2-oxazole (CID 154683649) is 5-methoxy-3-(3-nitrophenyl)-1,2-oxazole.
What is the SMILES notation for 5-methoxy-3-(3-nitrophenyl)-1,2-oxazole?
The canonical SMILES for 5-methoxy-3-(3-nitrophenyl)-1,2-oxazole is COc1cc(-c2cccc([N+](=O)[O-])c2)no1.
What is the InChIKey of 5-methoxy-3-(3-nitrophenyl)-1,2-oxazole?
The InChIKey is PMHUTZYNLHESAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c1-15-10-6-9(11-16-10)7-3-2-4-8(5-7)12(13)14/h2-6H,1H3.
What are the key properties of 5-methoxy-3-(3-nitrophenyl)-1,2-oxazole?
5-methoxy-3-(3-nitrophenyl)-1,2-oxazole has a molecular weight of 220.18 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(3-nitrophenyl)-1,2-oxazole is sourced from PubChem (CID 154683649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).