chloroform;2-naphthalen-1-yl-5-(tribromomethyl)-1,3,4-oxadiazole

C14H8Br3Cl3N2O — CID 174975798

IUPACchloroform;2-naphthalen-1-yl-5-(tribromomethyl)-1,3,4-oxadiazole
SMILESBrC(Br)(Br)c1nnc(-c2cccc3ccccc23)o1.ClC(Cl)Cl
InChIInChI=1S/C13H7Br3N2O.CHCl3/c14-13(15,16)12-18-17-11(19-12)10-7-3-5-8-4-1-2-6-9(8)10;2-1(3)4/h1-7H;1H
InChIKeyDJBQYNCIQKCVDC-UHFFFAOYSA-N
MW566.30 g/mol
LogP7.17
Rot. Bonds1

About chloroform;2-naphthalen-1-yl-5-(tribromomethyl)-1,3,4-oxadiazole

chloroform;2-naphthalen-1-yl-5-(tribromomethyl)-1,3,4-oxadiazole (PubChem CID 174975798) has the molecular formula C14H8Br3Cl3N2O and a molecular weight of 566.30 g/mol. Its IUPAC name is chloroform;2-naphthalen-1-yl-5-(tribromomethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Namechloroform;2-naphthalen-1-yl-5-(tribromomethyl)-1,3,4-oxadiazole
PubChem CID174975798
Molecular FormulaC14H8Br3Cl3N2O
Molecular Weight566.30 g/mol
Exact Mass561.73
IUPAC Namechloroform;2-naphthalen-1-yl-5-(tribromomethyl)-1,3,4-oxadiazole
SMILESBrC(Br)(Br)c1nnc(-c2cccc3ccccc23)o1.ClC(Cl)Cl
InChIInChI=1S/C13H7Br3N2O.CHCl3/c14-13(15,16)12-18-17-11(19-12)10-7-3-5-8-4-1-2-6-9(8)10;2-1(3)4/h1-7H;1H
InChIKeyDJBQYNCIQKCVDC-UHFFFAOYSA-N
XLogP7.17
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.30
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-naphthalen-1-yl-N-phenyl-1,3,4-oxadiazol-2-amine
CID 2815521
4-[5-(4-amino-2,3-diethylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-diethylaniline;2,5-dinaphthalen-1-yl-1,3,4-oxadiazole
CID 135210846
2-methyl-1-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
CID 111459478
2-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 2517988
2-naphthalen-1-yl-5-[4-[(E)-prop-1-enyl]phenyl]-1,3,4-oxadiazole
CID 23561823
N-ethyl-2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 62164993
2-naphthalen-1-yl-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole
CID 136746089
2-(2-bromophenyl)-5-tert-butyl-1,3,4-oxadiazole
CID 55028952
(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 61324776
2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole
CID 122368664
5-naphthalen-1-yl-N-pyridin-3-yl-1,3,4-oxadiazol-2-amine
CID 2815838
N-ethyl-3-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 62137262

Frequently Asked Questions

What is the IUPAC name of chloroform;2-naphthalen-1-yl-5-(tribromomethyl)-1,3,4-oxadiazole?
The IUPAC name of chloroform;2-naphthalen-1-yl-5-(tribromomethyl)-1,3,4-oxadiazole (CID 174975798) is chloroform;2-naphthalen-1-yl-5-(tribromomethyl)-1,3,4-oxadiazole.
What is the SMILES notation for chloroform;2-naphthalen-1-yl-5-(tribromomethyl)-1,3,4-oxadiazole?
The canonical SMILES for chloroform;2-naphthalen-1-yl-5-(tribromomethyl)-1,3,4-oxadiazole is BrC(Br)(Br)c1nnc(-c2cccc3ccccc23)o1.ClC(Cl)Cl.
What is the InChIKey of chloroform;2-naphthalen-1-yl-5-(tribromomethyl)-1,3,4-oxadiazole?
The InChIKey is DJBQYNCIQKCVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br3N2O.CHCl3/c14-13(15,16)12-18-17-11(19-12)10-7-3-5-8-4-1-2-6-9(8)10;2-1(3)4/h1-7H;1H.
What are the key properties of chloroform;2-naphthalen-1-yl-5-(tribromomethyl)-1,3,4-oxadiazole?
chloroform;2-naphthalen-1-yl-5-(tribromomethyl)-1,3,4-oxadiazole has a molecular weight of 566.30 g/mol, XLogP of 7.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;2-naphthalen-1-yl-5-(tribromomethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 174975798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).