2-(6-bromonaphthalen-2-yl)-5-tert-butyl-1,3,4-oxadiazole

C16H15BrN2O — CID 115353901

IUPAC2-(6-bromonaphthalen-2-yl)-5-tert-butyl-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(-c2ccc3cc(Br)ccc3c2)o1
InChIInChI=1S/C16H15BrN2O/c1-16(2,3)15-19-18-14(20-15)12-5-4-11-9-13(17)7-6-10(11)8-12/h4-9H,1-3H3
InChIKeyLXCYQMDZHPHYOP-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.95
Rot. Bonds1

About 2-(6-bromonaphthalen-2-yl)-5-tert-butyl-1,3,4-oxadiazole

2-(6-bromonaphthalen-2-yl)-5-tert-butyl-1,3,4-oxadiazole (PubChem CID 115353901) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)-5-tert-butyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)-5-tert-butyl-1,3,4-oxadiazole
PubChem CID115353901
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name2-(6-bromonaphthalen-2-yl)-5-tert-butyl-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(-c2ccc3cc(Br)ccc3c2)o1
InChIInChI=1S/C16H15BrN2O/c1-16(2,3)15-19-18-14(20-15)12-5-4-11-9-13(17)7-6-10(11)8-12/h4-9H,1-3H3
InChIKeyLXCYQMDZHPHYOP-UHFFFAOYSA-N
XLogP4.95
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-(6-bromonaphthalen-2-yl)-1,3,4-oxadiazole-2-carboxylate
CID 115960711
2-bromo-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 114771088
N-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 17171735
2-(2-bromophenyl)-5-tert-butyl-1,3,4-oxadiazole
CID 55028952
methyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate
CID 162060004
2-(6-bromonaphthalen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 115354447
2,6-dibromonaphthalene
CID 640591
5-bromo-2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]aniline
CID 43305660
4-bromo-2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]aniline
CID 79533256
2-[[4-(1H-benzimidazol-2-yl)phenoxy]methyl]-5-(6-bromonaphthalen-2-yl)-1,3,4-oxadiazole
CID 155968817
2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-methylimidazol-4-yl]-5-tert-butyl-1,3,4-oxadiazole
CID 24996216
4-(4-bromophenyl)-2-tert-butyl-1,3-oxazole
CID 119082880

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)-5-tert-butyl-1,3,4-oxadiazole?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)-5-tert-butyl-1,3,4-oxadiazole (CID 115353901) is 2-(6-bromonaphthalen-2-yl)-5-tert-butyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)-5-tert-butyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)-5-tert-butyl-1,3,4-oxadiazole is CC(C)(C)c1nnc(-c2ccc3cc(Br)ccc3c2)o1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)-5-tert-butyl-1,3,4-oxadiazole?
The InChIKey is LXCYQMDZHPHYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-16(2,3)15-19-18-14(20-15)12-5-4-11-9-13(17)7-6-10(11)8-12/h4-9H,1-3H3.
What are the key properties of 2-(6-bromonaphthalen-2-yl)-5-tert-butyl-1,3,4-oxadiazole?
2-(6-bromonaphthalen-2-yl)-5-tert-butyl-1,3,4-oxadiazole has a molecular weight of 331.21 g/mol, XLogP of 4.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)-5-tert-butyl-1,3,4-oxadiazole is sourced from PubChem (CID 115353901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).