3-(3-bromophenyl)-2,5-dihydro-1,2-oxazole

C9H8BrNO — CID 57092526

IUPAC3-(3-bromophenyl)-2,5-dihydro-1,2-oxazole
SMILESBrc1cccc(C2=CCON2)c1
InChIInChI=1S/C9H8BrNO/c10-8-3-1-2-7(6-8)9-4-5-12-11-9/h1-4,6,11H,5H2
InChIKeyCDVQOQVFBZWMJH-UHFFFAOYSA-N
MW226.07 g/mol
LogP2.32
Rot. Bonds1

About 3-(3-bromophenyl)-2,5-dihydro-1,2-oxazole

3-(3-bromophenyl)-2,5-dihydro-1,2-oxazole (PubChem CID 57092526) has the molecular formula C9H8BrNO and a molecular weight of 226.07 g/mol. Its IUPAC name is 3-(3-bromophenyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(3-bromophenyl)-2,5-dihydro-1,2-oxazole
PubChem CID57092526
Molecular FormulaC9H8BrNO
Molecular Weight226.07 g/mol
Exact Mass224.98
IUPAC Name3-(3-bromophenyl)-2,5-dihydro-1,2-oxazole
SMILESBrc1cccc(C2=CCON2)c1
InChIInChI=1S/C9H8BrNO/c10-8-3-1-2-7(6-8)9-4-5-12-11-9/h1-4,6,11H,5H2
InChIKeyCDVQOQVFBZWMJH-UHFFFAOYSA-N
XLogP2.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-Bromophenyl)ethyl](ethoxy)amine
CID 81329187
1-(2-bromo-4-fluorophenyl)-N-methoxyethenamine
CID 57190116
1-(4-bromo-2-fluorophenyl)-N-methoxyethenamine
CID 57308211
[3-(4-Bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 91287687
(Z)-2-amino-2-(5-bromo-2-fluorophenyl)ethenol
CID 149532670
1-(3-bromo-4-fluorophenyl)-N-ethoxymethanamine
CID 61068149
1-(5-bromo-2-fluorophenyl)-N-ethoxymethanamine
CID 61948898
1-(3-bromophenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82712252
3-(3-bromo-4-fluorophenyl)-2H-1,2-oxazol-5-one
CID 130170897
3-Phenyl-2,5-dihydro-1,2-oxazole
CID 14642163
[3-(4-Bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 56982022
1-(4-bromophenyl)-N-methoxyethenamine
CID 56995875

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(3-bromophenyl)-2,5-dihydro-1,2-oxazole (CID 57092526) is 3-(3-bromophenyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(3-bromophenyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(3-bromophenyl)-2,5-dihydro-1,2-oxazole is Brc1cccc(C2=CCON2)c1.
What is the InChIKey of 3-(3-bromophenyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is CDVQOQVFBZWMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO/c10-8-3-1-2-7(6-8)9-4-5-12-11-9/h1-4,6,11H,5H2.
What are the key properties of 3-(3-bromophenyl)-2,5-dihydro-1,2-oxazole?
3-(3-bromophenyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 226.07 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 57092526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).