2-bromo-5-[(2-chloro-6-fluorophenyl)methyl]-1,3,4-oxadiazole

C9H5BrClFN2O — CID 114771095

IUPAC2-bromo-5-[(2-chloro-6-fluorophenyl)methyl]-1,3,4-oxadiazole
SMILESFc1cccc(Cl)c1Cc1nnc(Br)o1
InChIInChI=1S/C9H5BrClFN2O/c10-9-14-13-8(15-9)4-5-6(11)2-1-3-7(5)12/h1-3H,4H2
InChIKeyVBRQKFJFCXWRTF-UHFFFAOYSA-N
MW291.51 g/mol
LogP3.22
Rot. Bonds2

About 2-bromo-5-[(2-chloro-6-fluorophenyl)methyl]-1,3,4-oxadiazole

2-bromo-5-[(2-chloro-6-fluorophenyl)methyl]-1,3,4-oxadiazole (PubChem CID 114771095) has the molecular formula C9H5BrClFN2O and a molecular weight of 291.51 g/mol. Its IUPAC name is 2-bromo-5-[(2-chloro-6-fluorophenyl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-bromo-5-[(2-chloro-6-fluorophenyl)methyl]-1,3,4-oxadiazole
PubChem CID114771095
Molecular FormulaC9H5BrClFN2O
Molecular Weight291.51 g/mol
Exact Mass289.93
IUPAC Name2-bromo-5-[(2-chloro-6-fluorophenyl)methyl]-1,3,4-oxadiazole
SMILESFc1cccc(Cl)c1Cc1nnc(Br)o1
InChIInChI=1S/C9H5BrClFN2O/c10-9-14-13-8(15-9)4-5-6(11)2-1-3-7(5)12/h1-3H,4H2
InChIKeyVBRQKFJFCXWRTF-UHFFFAOYSA-N
XLogP3.22
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.51
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5S)-3-[[5-[(2-chloro-6-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-5-methyloxolan-2-one
CID 95168525
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole
CID 47132217
3-chloro-6-[(2-chloro-6-fluorophenyl)methyl]pyridazine
CID 6404599
5-[2-(2-chloro-6-fluorophenyl)ethyl]-1,3,4-oxadiazole-2-carboxylic acid
CID 82134414
N-(4-chlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 23636122
5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 23004471
2-(2-bromoethyl)-1-chloro-3-fluorobenzene
CID 53403497
3-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-1,2,4-triazole
CID 115394879
2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-5-chlorofuran
CID 106689728
N-[[5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62342950
CID 167462330
CID 167462330
3-[(5-bromo-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 84708074

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(2-chloro-6-fluorophenyl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-bromo-5-[(2-chloro-6-fluorophenyl)methyl]-1,3,4-oxadiazole (CID 114771095) is 2-bromo-5-[(2-chloro-6-fluorophenyl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-bromo-5-[(2-chloro-6-fluorophenyl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-bromo-5-[(2-chloro-6-fluorophenyl)methyl]-1,3,4-oxadiazole is Fc1cccc(Cl)c1Cc1nnc(Br)o1.
What is the InChIKey of 2-bromo-5-[(2-chloro-6-fluorophenyl)methyl]-1,3,4-oxadiazole?
The InChIKey is VBRQKFJFCXWRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClFN2O/c10-9-14-13-8(15-9)4-5-6(11)2-1-3-7(5)12/h1-3H,4H2.
What are the key properties of 2-bromo-5-[(2-chloro-6-fluorophenyl)methyl]-1,3,4-oxadiazole?
2-bromo-5-[(2-chloro-6-fluorophenyl)methyl]-1,3,4-oxadiazole has a molecular weight of 291.51 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(2-chloro-6-fluorophenyl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 114771095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).