2-bromo-5-naphthalen-2-yl-1,3,4-oxadiazole

C12H7BrN2O — CID 114771088

IUPAC2-bromo-5-naphthalen-2-yl-1,3,4-oxadiazole
SMILESBrc1nnc(-c2ccc3ccccc3c2)o1
InChIInChI=1S/C12H7BrN2O/c13-12-15-14-11(16-12)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeySOAOUUJWCKAGLP-UHFFFAOYSA-N
MW275.11 g/mol
LogP3.65
Rot. Bonds1

About 2-bromo-5-naphthalen-2-yl-1,3,4-oxadiazole

2-bromo-5-naphthalen-2-yl-1,3,4-oxadiazole (PubChem CID 114771088) has the molecular formula C12H7BrN2O and a molecular weight of 275.11 g/mol. Its IUPAC name is 2-bromo-5-naphthalen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-bromo-5-naphthalen-2-yl-1,3,4-oxadiazole
PubChem CID114771088
Molecular FormulaC12H7BrN2O
Molecular Weight275.11 g/mol
Exact Mass273.97
IUPAC Name2-bromo-5-naphthalen-2-yl-1,3,4-oxadiazole
SMILESBrc1nnc(-c2ccc3ccccc3c2)o1
InChIInChI=1S/C12H7BrN2O/c13-12-15-14-11(16-12)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeySOAOUUJWCKAGLP-UHFFFAOYSA-N
XLogP3.65
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(bromomethyl)phenyl]-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 141345170
2-(1-bromopropyl)-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 62856201
2-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 62071982
2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 70874023
2-[(4-methylphenyl)methyl]-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 142315891
3-(5-bromo-1,3,4-oxadiazol-2-yl)benzonitrile
CID 114771083
2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4019395
4-(5-bromo-1,3,4-oxadiazol-2-yl)benzonitrile
CID 114771370
2-naphthalen-2-yl-5-[4-(2-naphthalen-1-ylethenyl)phenyl]-1,3,4-oxadiazole
CID 3893702
2-(6-bromonaphthalen-2-yl)-5-tert-butyl-1,3,4-oxadiazole
CID 115353901
2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 59445214
4,6-dibromo-2-naphthalen-2-ylpyrimidine
CID 71324653

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-naphthalen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-bromo-5-naphthalen-2-yl-1,3,4-oxadiazole (CID 114771088) is 2-bromo-5-naphthalen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-bromo-5-naphthalen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-bromo-5-naphthalen-2-yl-1,3,4-oxadiazole is Brc1nnc(-c2ccc3ccccc3c2)o1.
What is the InChIKey of 2-bromo-5-naphthalen-2-yl-1,3,4-oxadiazole?
The InChIKey is SOAOUUJWCKAGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2O/c13-12-15-14-11(16-12)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H.
What are the key properties of 2-bromo-5-naphthalen-2-yl-1,3,4-oxadiazole?
2-bromo-5-naphthalen-2-yl-1,3,4-oxadiazole has a molecular weight of 275.11 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-naphthalen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 114771088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).