3-bromo-5-(3-propoxyphenyl)-1,2,4-oxadiazole

C11H11BrN2O2 — CID 112571624

IUPAC3-bromo-5-(3-propoxyphenyl)-1,2,4-oxadiazole
SMILESCCCOc1cccc(-c2nc(Br)no2)c1
InChIInChI=1S/C11H11BrN2O2/c1-2-6-15-9-5-3-4-8(7-9)10-13-11(12)14-16-10/h3-5,7H,2,6H2,1H3
InChIKeySRNKEMYJFQUZLT-UHFFFAOYSA-N
MW283.12 g/mol
LogP3.29
Rot. Bonds4

About 3-bromo-5-(3-propoxyphenyl)-1,2,4-oxadiazole

3-bromo-5-(3-propoxyphenyl)-1,2,4-oxadiazole (PubChem CID 112571624) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 3-bromo-5-(3-propoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-bromo-5-(3-propoxyphenyl)-1,2,4-oxadiazole
PubChem CID112571624
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name3-bromo-5-(3-propoxyphenyl)-1,2,4-oxadiazole
SMILESCCCOc1cccc(-c2nc(Br)no2)c1
InChIInChI=1S/C11H11BrN2O2/c1-2-6-15-9-5-3-4-8(7-9)10-13-11(12)14-16-10/h3-5,7H,2,6H2,1H3
InChIKeySRNKEMYJFQUZLT-UHFFFAOYSA-N
XLogP3.29
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenyl)-5-(3-propoxyphenyl)-1,2,4-oxadiazole
CID 46300212
2,2-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62920036
1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 62920379
N',N'-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635367
4-ethyl-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid
CID 104842346
2-(1-bromopropyl)-5-(3-propoxyphenyl)-1,3,4-oxadiazole
CID 62919503
3-bromo-5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazole
CID 112571543
methyl 5-(3-propoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112618867
[2-(3-propoxyphenyl)-1,3-thiazol-4-yl]methanamine
CID 55078974
3-methyl-5-(3-propoxyphenyl)pyridine
CID 143608383
2-ethyl-4-(3-propoxyphenyl)imidazole-1,5-diamine
CID 55079214
2-methyl-6-(3-propoxyphenyl)pyridin-3-amine
CID 82467694

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(3-propoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-bromo-5-(3-propoxyphenyl)-1,2,4-oxadiazole (CID 112571624) is 3-bromo-5-(3-propoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-bromo-5-(3-propoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-bromo-5-(3-propoxyphenyl)-1,2,4-oxadiazole is CCCOc1cccc(-c2nc(Br)no2)c1.
What is the InChIKey of 3-bromo-5-(3-propoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is SRNKEMYJFQUZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-2-6-15-9-5-3-4-8(7-9)10-13-11(12)14-16-10/h3-5,7H,2,6H2,1H3.
What are the key properties of 3-bromo-5-(3-propoxyphenyl)-1,2,4-oxadiazole?
3-bromo-5-(3-propoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 283.12 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(3-propoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 112571624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).