2-(2-nitro-5-phenoxyphenyl)-1,3-oxazole

C15H10N2O4 — CID 56628535

IUPAC2-(2-nitro-5-phenoxyphenyl)-1,3-oxazole
SMILESO=[N+]([O-])c1ccc(Oc2ccccc2)cc1-c1ncco1
InChIInChI=1S/C15H10N2O4/c18-17(19)14-7-6-12(21-11-4-2-1-3-5-11)10-13(14)15-16-8-9-20-15/h1-10H
InChIKeyDNRYZIBKVUCUKL-UHFFFAOYSA-N
MW282.26 g/mol
LogP4.04
Rot. Bonds4

About 2-(2-nitro-5-phenoxyphenyl)-1,3-oxazole

2-(2-nitro-5-phenoxyphenyl)-1,3-oxazole (PubChem CID 56628535) has the molecular formula C15H10N2O4 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-(2-nitro-5-phenoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2-nitro-5-phenoxyphenyl)-1,3-oxazole
PubChem CID56628535
Molecular FormulaC15H10N2O4
Molecular Weight282.26 g/mol
Exact Mass282.06
IUPAC Name2-(2-nitro-5-phenoxyphenyl)-1,3-oxazole
SMILESO=[N+]([O-])c1ccc(Oc2ccccc2)cc1-c1ncco1
InChIInChI=1S/C15H10N2O4/c18-17(19)14-7-6-12(21-11-4-2-1-3-5-11)10-13(14)15-16-8-9-20-15/h1-10H
InChIKeyDNRYZIBKVUCUKL-UHFFFAOYSA-N
XLogP4.04
TPSA78.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 54.04
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

ethane;2-(2-nitrophenyl)-1,3-oxazole
CID 91192753
2-(2-nitro-5-phenoxyphenyl)-1,3-thiazole
CID 70526678
2-nitro-4-phenoxyphenol
CID 10775849
5-methyl-3-nitro-2-phenoxypyridine
CID 143610713
(2-nitro-5-phenoxyphenyl)methanamine
CID 141138055
2-chloro-5-nitro-4-phenoxypyridine
CID 91620332
3-(3-methyl-4-nitrophenoxy)pyridine
CID 19042898
5-nitro-2,4-diphenoxypyridine
CID 139217922
ethyl 5-(2-nitro-5-phenoxyphenyl)-2H-triazole-4-carboxylate
CID 169401347
2-(5-methoxy-2-nitrophenyl)-3,1-benzoxazin-4-one
CID 46189780
2-(1-methyl-3-phenylpyrazol-4-yl)-1,3-oxazole;nitromethane
CID 91208762
5-bromo-3-nitro-2-(4-nitrophenoxy)pyridine
CID 61372882

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitro-5-phenoxyphenyl)-1,3-oxazole?
The IUPAC name of 2-(2-nitro-5-phenoxyphenyl)-1,3-oxazole (CID 56628535) is 2-(2-nitro-5-phenoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 2-(2-nitro-5-phenoxyphenyl)-1,3-oxazole?
The canonical SMILES for 2-(2-nitro-5-phenoxyphenyl)-1,3-oxazole is O=[N+]([O-])c1ccc(Oc2ccccc2)cc1-c1ncco1.
What is the InChIKey of 2-(2-nitro-5-phenoxyphenyl)-1,3-oxazole?
The InChIKey is DNRYZIBKVUCUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4/c18-17(19)14-7-6-12(21-11-4-2-1-3-5-11)10-13(14)15-16-8-9-20-15/h1-10H.
What are the key properties of 2-(2-nitro-5-phenoxyphenyl)-1,3-oxazole?
2-(2-nitro-5-phenoxyphenyl)-1,3-oxazole has a molecular weight of 282.26 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitro-5-phenoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 56628535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).