5-(3-bromophenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole

C11H10BrClN2O — CID 103095340

IUPAC5-(3-bromophenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole
SMILESCCC(Cl)c1noc(-c2cccc(Br)c2)n1
InChIInChI=1S/C11H10BrClN2O/c1-2-9(13)10-14-11(16-15-10)7-4-3-5-8(12)6-7/h3-6,9H,2H2,1H3
InChIKeyOOGLQWAVHGTRKV-UHFFFAOYSA-N
MW301.57 g/mol
LogP4.19
Rot. Bonds3

About 5-(3-bromophenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole

5-(3-bromophenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole (PubChem CID 103095340) has the molecular formula C11H10BrClN2O and a molecular weight of 301.57 g/mol. Its IUPAC name is 5-(3-bromophenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-bromophenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole
PubChem CID103095340
Molecular FormulaC11H10BrClN2O
Molecular Weight301.57 g/mol
Exact Mass299.97
IUPAC Name5-(3-bromophenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole
SMILESCCC(Cl)c1noc(-c2cccc(Br)c2)n1
InChIInChI=1S/C11H10BrClN2O/c1-2-9(13)10-14-11(16-15-10)7-4-3-5-8(12)6-7/h3-6,9H,2H2,1H3
InChIKeyOOGLQWAVHGTRKV-UHFFFAOYSA-N
XLogP4.19
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.57
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(3-bromo-5-fluorophenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole
CID 103095623
5-(3-chloro-4-methylphenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole
CID 103095689
5-(4-bromo-2,6-difluorophenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole
CID 103095497
1-[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635360
3-(1-chlorobutyl)-5-(3-chlorophenyl)-1,2,4-oxadiazole
CID 103095861
3-(1-chloropropyl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 103095565
3-(1-chloropropyl)-5-(5-methylfuran-3-yl)-1,2,4-oxadiazole
CID 103095423
1-[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634751
3-(1-chloropropyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 103095388
3-(1-chloropropyl)-5-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazole
CID 103095464
5-(2-bromo-4-fluorophenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole
CID 103095522
[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
CID 61325038

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-bromophenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole (CID 103095340) is 5-(3-bromophenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-bromophenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-bromophenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole is CCC(Cl)c1noc(-c2cccc(Br)c2)n1.
What is the InChIKey of 5-(3-bromophenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole?
The InChIKey is OOGLQWAVHGTRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O/c1-2-9(13)10-14-11(16-15-10)7-4-3-5-8(12)6-7/h3-6,9H,2H2,1H3.
What are the key properties of 5-(3-bromophenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole?
5-(3-bromophenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole has a molecular weight of 301.57 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 103095340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).