3-(4-bromophenyl)-2,5-dihydro-1,2-oxazole

C9H8BrNO — CID 90891793

IUPAC3-(4-bromophenyl)-2,5-dihydro-1,2-oxazole
SMILESBrc1ccc(C2=CCON2)cc1
InChIInChI=1S/C9H8BrNO/c10-8-3-1-7(2-4-8)9-5-6-12-11-9/h1-5,11H,6H2
InChIKeyOUFQWFURHNUMJH-UHFFFAOYSA-N
MW226.07 g/mol
LogP2.32
Rot. Bonds1

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

3-(4-bromophenyl)-2,5-dihydro-1,2-oxazole (PubChem CID 90891793) has the molecular formula C9H8BrNO and a molecular weight of 226.07 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-2,5-dihydro-1,2-oxazole
PubChem CID90891793
Molecular FormulaC9H8BrNO
Molecular Weight226.07 g/mol
Exact Mass224.98
IUPAC Name3-(4-bromophenyl)-2,5-dihydro-1,2-oxazole
SMILESBrc1ccc(C2=CCON2)cc1
InChIInChI=1S/C9H8BrNO/c10-8-3-1-7(2-4-8)9-5-6-12-11-9/h1-5,11H,6H2
InChIKeyOUFQWFURHNUMJH-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

(Z)-3-azido-3-(4-bromophenyl)prop-2-en-1-ol
CID 101242057
1-(2-bromo-4-fluorophenyl)-N-methoxyethenamine
CID 57190116
1-(4-bromo-2-fluorophenyl)-N-methoxyethenamine
CID 57308211
5-(Azidomethyl)-3-(4-bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 91019015
[3-(4-Bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91127610
[3-(4-Bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91216467
[3-(4-Bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 91287687
[3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol
CID 91355065
3-(4-bromo-3-fluorophenyl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine
CID 91483603
1-(p-Bromophenyl)nitrosoethylene
CID 129843414
(S)-N-(1-(4-bromophenyl)ethyl)-O-ethylhydroxylamine
CID 163358813
1-(4-bromo-2-fluorophenyl)-N-ethoxymethanamine
CID 60702464

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(4-bromophenyl)-2,5-dihydro-1,2-oxazole (CID 90891793) is 3-(4-bromophenyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(4-bromophenyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(4-bromophenyl)-2,5-dihydro-1,2-oxazole is Brc1ccc(C2=CCON2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is OUFQWFURHNUMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO/c10-8-3-1-7(2-4-8)9-5-6-12-11-9/h1-5,11H,6H2.
What are the key properties of 3-(4-bromophenyl)-2,5-dihydro-1,2-oxazole?
3-(4-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-(4-bromophenyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 90891793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).