4-bromo-3-(2-bromophenyl)-5-(2-nitrophenyl)-1,2-oxazole

C15H8Br2N2O3 — CID 71729141

IUPAC4-bromo-3-(2-bromophenyl)-5-(2-nitrophenyl)-1,2-oxazole
SMILESO=[N+]([O-])c1ccccc1-c1onc(-c2ccccc2Br)c1Br
InChIInChI=1S/C15H8Br2N2O3/c16-11-7-3-1-5-9(11)14-13(17)15(22-18-14)10-6-2-4-8-12(10)19(20)21/h1-8H
InChIKeyRTCFMIIDRBPFEA-UHFFFAOYSA-N
MW424.05 g/mol
LogP5.44
Rot. Bonds3

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

4-bromo-3-(2-bromophenyl)-5-(2-nitrophenyl)-1,2-oxazole (PubChem CID 71729141) has the molecular formula C15H8Br2N2O3 and a molecular weight of 424.05 g/mol. Its IUPAC name is 4-bromo-3-(2-bromophenyl)-5-(2-nitrophenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-bromo-3-(2-bromophenyl)-5-(2-nitrophenyl)-1,2-oxazole
PubChem CID71729141
Molecular FormulaC15H8Br2N2O3
Molecular Weight424.05 g/mol
Exact Mass421.89
IUPAC Name4-bromo-3-(2-bromophenyl)-5-(2-nitrophenyl)-1,2-oxazole
SMILESO=[N+]([O-])c1ccccc1-c1onc(-c2ccccc2Br)c1Br
InChIInChI=1S/C15H8Br2N2O3/c16-11-7-3-1-5-9(11)14-13(17)15(22-18-14)10-6-2-4-8-12(10)19(20)21/h1-8H
InChIKeyRTCFMIIDRBPFEA-UHFFFAOYSA-N
XLogP5.44
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.05
LogP ≤ 55.44
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

1-bromo-2-nitrobenzene
CID 158366116
[3-(2,5-dichlorophenyl)-5-(2-nitrophenyl)-1,2-oxazol-4-yl]methanol
CID 131868525
1-bromo-5-(2-nitrophenyl)naphthalene
CID 118332360
ethyl 3,5-bis(2-nitrophenyl)-1,2-oxazole-4-carboxylate
CID 131867680
[5-(3,5-dichlorophenyl)-3-(2-nitrophenyl)-1,2-oxazol-4-yl]methanol
CID 131866916
1-bromo-2-nitrobenzene;ethane
CID 91072043
[5-(2-nitrophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324782
5-methyl-4-(2-nitrophenyl)-1,2-oxazole
CID 21271820
5-(2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66197989
1-(2-bromo-6-methylphenyl)-5-(2-nitrophenyl)pyrazole
CID 53348998
3,4-bis(2-bromophenyl)-1,2-oxazol-5-amine
CID 62830001
2-(2-nitrophenyl)-6-oxa-8-azabicyclo[3.2.1]octa-1,3,5(8)-trien-7-one
CID 54422141

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(2-bromophenyl)-5-(2-nitrophenyl)-1,2-oxazole?
The IUPAC name of 4-bromo-3-(2-bromophenyl)-5-(2-nitrophenyl)-1,2-oxazole (CID 71729141) is 4-bromo-3-(2-bromophenyl)-5-(2-nitrophenyl)-1,2-oxazole.
What is the SMILES notation for 4-bromo-3-(2-bromophenyl)-5-(2-nitrophenyl)-1,2-oxazole?
The canonical SMILES for 4-bromo-3-(2-bromophenyl)-5-(2-nitrophenyl)-1,2-oxazole is O=[N+]([O-])c1ccccc1-c1onc(-c2ccccc2Br)c1Br.
What is the InChIKey of 4-bromo-3-(2-bromophenyl)-5-(2-nitrophenyl)-1,2-oxazole?
The InChIKey is RTCFMIIDRBPFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Br2N2O3/c16-11-7-3-1-5-9(11)14-13(17)15(22-18-14)10-6-2-4-8-12(10)19(20)21/h1-8H.
What are the key properties of 4-bromo-3-(2-bromophenyl)-5-(2-nitrophenyl)-1,2-oxazole?
4-bromo-3-(2-bromophenyl)-5-(2-nitrophenyl)-1,2-oxazole has a molecular weight of 424.05 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(2-bromophenyl)-5-(2-nitrophenyl)-1,2-oxazole is sourced from PubChem (CID 71729141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).