2-(4-bromo-3-propan-2-ylphenyl)-1,3,4-oxadiazole

C11H11BrN2O — CID 171373742

IUPAC2-(4-bromo-3-propan-2-ylphenyl)-1,3,4-oxadiazole
SMILESCC(C)c1cc(-c2nnco2)ccc1Br
InChIInChI=1S/C11H11BrN2O/c1-7(2)9-5-8(3-4-10(9)12)11-14-13-6-15-11/h3-7H,1-2H3
InChIKeyPUZKGOGYTLRBTK-UHFFFAOYSA-N
MW267.13 g/mol
LogP3.62
Rot. Bonds2

About 2-(4-bromo-3-propan-2-ylphenyl)-1,3,4-oxadiazole

2-(4-bromo-3-propan-2-ylphenyl)-1,3,4-oxadiazole (PubChem CID 171373742) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 2-(4-bromo-3-propan-2-ylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-bromo-3-propan-2-ylphenyl)-1,3,4-oxadiazole
PubChem CID171373742
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name2-(4-bromo-3-propan-2-ylphenyl)-1,3,4-oxadiazole
SMILESCC(C)c1cc(-c2nnco2)ccc1Br
InChIInChI=1S/C11H11BrN2O/c1-7(2)9-5-8(3-4-10(9)12)11-14-13-6-15-11/h3-7H,1-2H3
InChIKeyPUZKGOGYTLRBTK-UHFFFAOYSA-N
XLogP3.62
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-iodophenyl)-1,3,4-oxadiazole
CID 171373723
5-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzonitrile
CID 178014522
2-[2-bromo-4-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 142792757
2-[4-bromo-3-(methoxymethyl)phenyl]-1,3,4-oxadiazole
CID 170557804
2-(3-methylphenyl)-1,3,4-oxadiazole
CID 22937238
2-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole
CID 2372912
2-(bromomethyl)-5-(1,3,4-oxadiazol-2-yl)benzonitrile
CID 178014535
N-(3-methylbutan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206454
N-[1-(3-bromophenyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206435
2-methyl-N-(4-methylpentan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43735645
N-(1-methoxypropan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline
CID 55085987
N-(1-cyclopropylethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701835

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-propan-2-ylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-bromo-3-propan-2-ylphenyl)-1,3,4-oxadiazole (CID 171373742) is 2-(4-bromo-3-propan-2-ylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-bromo-3-propan-2-ylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-bromo-3-propan-2-ylphenyl)-1,3,4-oxadiazole is CC(C)c1cc(-c2nnco2)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-propan-2-ylphenyl)-1,3,4-oxadiazole?
The InChIKey is PUZKGOGYTLRBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-7(2)9-5-8(3-4-10(9)12)11-14-13-6-15-11/h3-7H,1-2H3.
What are the key properties of 2-(4-bromo-3-propan-2-ylphenyl)-1,3,4-oxadiazole?
2-(4-bromo-3-propan-2-ylphenyl)-1,3,4-oxadiazole has a molecular weight of 267.13 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-propan-2-ylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 171373742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).