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

C11H11BrN2O — CID 54593869

IUPAC2-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C11H11BrN2O/c1-7(2)10-13-14-11(15-10)8-4-3-5-9(12)6-8/h3-7H,1-2H3
InChIKeyLCAYWZTYDNYFSJ-UHFFFAOYSA-N
MW267.13 g/mol
LogP3.62
Rot. Bonds2

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

2-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 54593869) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID54593869
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name2-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C11H11BrN2O/c1-7(2)10-13-14-11(15-10)8-4-3-5-9(12)6-8/h3-7H,1-2H3
InChIKeyLCAYWZTYDNYFSJ-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-(3,5-dibromophenyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 104530677
2-(3-bromophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole
CID 43913092
2-(2-bromo-4-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 146446478
2-(3-bromophenyl)-5-methylsulfanyl-1,3,4-oxadiazole
CID 82488242
CID 163815297
CID 163815297
2-(3-bromophenyl)-4-propan-2-yl-1,3-oxazole
CID 115049454
5-(3-bromophenyl)-2-propan-2-yl-1,3-oxazole
CID 71734450
2-[(1S)-1-(4-bromophenyl)sulfanylethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 51923748
(2S)-2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7594847
2-[1-(2,4-dibromophenoxy)ethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 24670728
2-[(1S)-1-chloroethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 7129414
1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanol
CID 66596920

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole (CID 54593869) is 2-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole is CC(C)c1nnc(-c2cccc(Br)c2)o1.
What is the InChIKey of 2-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is LCAYWZTYDNYFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-7(2)10-13-14-11(15-10)8-4-3-5-9(12)6-8/h3-7H,1-2H3.
What are the key properties of 2-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole?
2-(3-bromophenyl)-5-propan-2-yl-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-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 54593869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).