3-[(2-nitrophenoxy)methyl]-5-phenyl-1,2-oxazole

C16H12N2O4 — CID 9013397

IUPAC3-[(2-nitrophenoxy)methyl]-5-phenyl-1,2-oxazole
SMILESO=[N+]([O-])c1ccccc1OCc1cc(-c2ccccc2)on1
InChIInChI=1S/C16H12N2O4/c19-18(20)14-8-4-5-9-15(14)21-11-13-10-16(22-17-13)12-6-2-1-3-7-12/h1-10H,11H2
InChIKeyRICXGLPSEAKILK-UHFFFAOYSA-N
MW296.28 g/mol
LogP3.83
Rot. Bonds5

About 3-[(2-nitrophenoxy)methyl]-5-phenyl-1,2-oxazole

3-[(2-nitrophenoxy)methyl]-5-phenyl-1,2-oxazole (PubChem CID 9013397) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 3-[(2-nitrophenoxy)methyl]-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(2-nitrophenoxy)methyl]-5-phenyl-1,2-oxazole
PubChem CID9013397
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name3-[(2-nitrophenoxy)methyl]-5-phenyl-1,2-oxazole
SMILESO=[N+]([O-])c1ccccc1OCc1cc(-c2ccccc2)on1
InChIInChI=1S/C16H12N2O4/c19-18(20)14-8-4-5-9-15(14)21-11-13-10-16(22-17-13)12-6-2-1-3-7-12/h1-10H,11H2
InChIKeyRICXGLPSEAKILK-UHFFFAOYSA-N
XLogP3.83
TPSA78.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 53.83
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

2-nitro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 16866508
(5-phenyl-1,2-oxazol-3-yl)methyl 5-chloro-2-nitrobenzoate
CID 9286228
N-benzyl-2-[(5-phenyl-1,2-oxazol-3-yl)methoxy]benzamide
CID 9354603
3-(3-bromophenyl)-5-[(2-nitrophenoxy)methyl]-1,2,4-oxadiazole
CID 9013448
3-(3-methylphenyl)-5-[(2-nitrophenoxy)methyl]-1,2,4-oxadiazole
CID 19657964
(5-phenyl-1,2-oxazol-3-yl)methyl 2-amino-5-nitrobenzoate
CID 24527354
1-O-methyl 3-O-[(5-phenyl-1,2-oxazol-3-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate
CID 9230720
[2-[(2-nitrophenoxy)methyl]-4-pyridinyl]hydrazine
CID 79259014
3-nitro-5-[3-(2-phenylethyl)-1,2-oxazol-5-yl]benzene-1,2-diol
CID 142496699
2-[(5-methyl-2-nitrophenoxy)methyl]-5-phenyl-1,3-oxazole
CID 41459120
4-[(2-nitrophenoxy)methyl]-1,2-oxazole
CID 71413295
7-[(2-nitrophenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2500347

Frequently Asked Questions

What is the IUPAC name of 3-[(2-nitrophenoxy)methyl]-5-phenyl-1,2-oxazole?
The IUPAC name of 3-[(2-nitrophenoxy)methyl]-5-phenyl-1,2-oxazole (CID 9013397) is 3-[(2-nitrophenoxy)methyl]-5-phenyl-1,2-oxazole.
What is the SMILES notation for 3-[(2-nitrophenoxy)methyl]-5-phenyl-1,2-oxazole?
The canonical SMILES for 3-[(2-nitrophenoxy)methyl]-5-phenyl-1,2-oxazole is O=[N+]([O-])c1ccccc1OCc1cc(-c2ccccc2)on1.
What is the InChIKey of 3-[(2-nitrophenoxy)methyl]-5-phenyl-1,2-oxazole?
The InChIKey is RICXGLPSEAKILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c19-18(20)14-8-4-5-9-15(14)21-11-13-10-16(22-17-13)12-6-2-1-3-7-12/h1-10H,11H2.
What are the key properties of 3-[(2-nitrophenoxy)methyl]-5-phenyl-1,2-oxazole?
3-[(2-nitrophenoxy)methyl]-5-phenyl-1,2-oxazole has a molecular weight of 296.28 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-nitrophenoxy)methyl]-5-phenyl-1,2-oxazole is sourced from PubChem (CID 9013397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).