2-(4-bromophenyl)-5-pentan-3-yl-1,3,4-oxadiazole

C13H15BrN2O — CID 71062822

IUPAC2-(4-bromophenyl)-5-pentan-3-yl-1,3,4-oxadiazole
SMILESCCC(CC)c1nnc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C13H15BrN2O/c1-3-9(4-2)12-15-16-13(17-12)10-5-7-11(14)8-6-10/h5-9H,3-4H2,1-2H3
InChIKeyUADBQIDDUIQHJU-UHFFFAOYSA-N
MW295.18 g/mol
LogP4.40
Rot. Bonds4

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

2-(4-bromophenyl)-5-pentan-3-yl-1,3,4-oxadiazole (PubChem CID 71062822) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-pentan-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-pentan-3-yl-1,3,4-oxadiazole
PubChem CID71062822
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name2-(4-bromophenyl)-5-pentan-3-yl-1,3,4-oxadiazole
SMILESCCC(CC)c1nnc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C13H15BrN2O/c1-3-9(4-2)12-15-16-13(17-12)10-5-7-11(14)8-6-10/h5-9H,3-4H2,1-2H3
InChIKeyUADBQIDDUIQHJU-UHFFFAOYSA-N
XLogP4.40
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-amino-4-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 175913468
2-(1-bromopropyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole
CID 62856200
2-amino-2-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 82363345
2-[5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-5-pentan-3-yl-1,3,4-oxadiazole
CID 66844365
2-(1-bromopropyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 62856196
2-(1-bromopropyl)-5-(4-methylsulfanylphenyl)-1,3,4-oxadiazole
CID 79215563
2-(1-bromopropyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 62854380
[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methanethiol
CID 82160182
2-(4-bromophenyl)-5-(4-octylphenyl)-1,3,4-oxadiazole
CID 23522268
2-(1-bromopropyl)-5-(3,4-dimethylphenyl)-1,3,4-oxadiazole
CID 62856515
2-(1-bromopropyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 62856211
1-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 55124209

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-pentan-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-bromophenyl)-5-pentan-3-yl-1,3,4-oxadiazole (CID 71062822) is 2-(4-bromophenyl)-5-pentan-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-bromophenyl)-5-pentan-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-bromophenyl)-5-pentan-3-yl-1,3,4-oxadiazole is CCC(CC)c1nnc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 2-(4-bromophenyl)-5-pentan-3-yl-1,3,4-oxadiazole?
The InChIKey is UADBQIDDUIQHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-3-9(4-2)12-15-16-13(17-12)10-5-7-11(14)8-6-10/h5-9H,3-4H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-5-pentan-3-yl-1,3,4-oxadiazole?
2-(4-bromophenyl)-5-pentan-3-yl-1,3,4-oxadiazole has a molecular weight of 295.18 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-pentan-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 71062822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).