3-(4-chlorophenyl)-5-(4-nitrophenyl)-1,2-oxazole

C15H9ClN2O3 — CID 165349290

IUPAC3-(4-chlorophenyl)-5-(4-nitrophenyl)-1,2-oxazole
SMILESO=[N+]([O-])c1ccc(-c2cc(-c3ccc(Cl)cc3)no2)cc1
InChIInChI=1S/C15H9ClN2O3/c16-12-5-1-10(2-6-12)14-9-15(21-17-14)11-3-7-13(8-4-11)18(19)20/h1-9H
InChIKeyCAQXMUDXWKCCHZ-UHFFFAOYSA-N
MW300.70 g/mol
LogP4.57
Rot. Bonds3

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

3-(4-chlorophenyl)-5-(4-nitrophenyl)-1,2-oxazole (PubChem CID 165349290) has the molecular formula C15H9ClN2O3 and a molecular weight of 300.70 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(4-nitrophenyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(4-nitrophenyl)-1,2-oxazole
PubChem CID165349290
Molecular FormulaC15H9ClN2O3
Molecular Weight300.70 g/mol
Exact Mass300.03
IUPAC Name3-(4-chlorophenyl)-5-(4-nitrophenyl)-1,2-oxazole
SMILESO=[N+]([O-])c1ccc(-c2cc(-c3ccc(Cl)cc3)no2)cc1
InChIInChI=1S/C15H9ClN2O3/c16-12-5-1-10(2-6-12)14-9-15(21-17-14)11-3-7-13(8-4-11)18(19)20/h1-9H
InChIKeyCAQXMUDXWKCCHZ-UHFFFAOYSA-N
XLogP4.57
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-methylphenyl)-3-(4-nitrophenyl)-1,2-oxazole
CID 139215074
5-chloro-3-(4-nitrophenyl)-1,2-oxazole
CID 15258968
5-(3-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazole
CID 142469500
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-4-nitrobenzamide
CID 16866764
3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole
CID 139215073
N-[2-(4-chlorophenyl)phenyl]-3-(4-nitrophenyl)-1,2-oxazole-5-sulfonamide
CID 167970264
5-(4-chlorophenyl)-3-(5-chloro-3-pyridinyl)-1,2-oxazole
CID 44545539
CID 70381437
CID 70381437
[5-(4-nitrophenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride
CID 165472182
3-(4-nitrophenyl)oxazin-6-one
CID 759154
5-(4-chlorophenyl)-N-(3-nitrophenyl)-1,2-oxazole-3-carboxamide
CID 31776990
3-(4-chlorophenyl)-5-[(E)-2-[3-(4-nitrophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethenyl]-1,2-oxazole
CID 101268740

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(4-nitrophenyl)-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-5-(4-nitrophenyl)-1,2-oxazole (CID 165349290) is 3-(4-chlorophenyl)-5-(4-nitrophenyl)-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(4-nitrophenyl)-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-(4-nitrophenyl)-1,2-oxazole is O=[N+]([O-])c1ccc(-c2cc(-c3ccc(Cl)cc3)no2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(4-nitrophenyl)-1,2-oxazole?
The InChIKey is CAQXMUDXWKCCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O3/c16-12-5-1-10(2-6-12)14-9-15(21-17-14)11-3-7-13(8-4-11)18(19)20/h1-9H.
What are the key properties of 3-(4-chlorophenyl)-5-(4-nitrophenyl)-1,2-oxazole?
3-(4-chlorophenyl)-5-(4-nitrophenyl)-1,2-oxazole has a molecular weight of 300.70 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(4-nitrophenyl)-1,2-oxazole is sourced from PubChem (CID 165349290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).