2-[(2-bromo-4-methylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole

C16H13BrN2O2 — CID 16583524

IUPAC2-[(2-bromo-4-methylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1ccc(OCc2nnc(-c3ccccc3)o2)c(Br)c1
InChIInChI=1S/C16H13BrN2O2/c1-11-7-8-14(13(17)9-11)20-10-15-18-19-16(21-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyWOMXQVJNOSXLPG-UHFFFAOYSA-N
MW345.20 g/mol
LogP4.39
Rot. Bonds4

About 2-[(2-bromo-4-methylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole

2-[(2-bromo-4-methylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 16583524) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 2-[(2-bromo-4-methylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-bromo-4-methylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID16583524
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name2-[(2-bromo-4-methylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1ccc(OCc2nnc(-c3ccccc3)o2)c(Br)c1
InChIInChI=1S/C16H13BrN2O2/c1-11-7-8-14(13(17)9-11)20-10-15-18-19-16(21-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyWOMXQVJNOSXLPG-UHFFFAOYSA-N
XLogP4.39
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxy-4-methylphenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 110655620
2-[2-(2-chloro-5-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110656079
2-[(2-bromophenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 110655809
2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 18859382
2-[(2,3-dichlorophenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 110655632
2-[(2-tert-butylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 110655564
2-[(2,3-dichlorophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 17404310
2-(3-methylphenyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 110655626
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-bromo-4-methoxybenzoate
CID 8875963
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile
CID 2714605
2-methoxy-5-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 18870594
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(2,5-dimethylphenoxy)propanoate
CID 7856410

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-methylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-bromo-4-methylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole (CID 16583524) is 2-[(2-bromo-4-methylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-bromo-4-methylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-bromo-4-methylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole is Cc1ccc(OCc2nnc(-c3ccccc3)o2)c(Br)c1.
What is the InChIKey of 2-[(2-bromo-4-methylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is WOMXQVJNOSXLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-11-7-8-14(13(17)9-11)20-10-15-18-19-16(21-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of 2-[(2-bromo-4-methylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole?
2-[(2-bromo-4-methylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 345.20 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-methylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 16583524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).