2-bromo-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol

C15H11BrN2O3 — CID 104937955

IUPAC2-bromo-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1cc(-c2nc(COc3ccccc3)no2)ccc1Br
InChIInChI=1S/C15H11BrN2O3/c16-12-7-6-10(8-13(12)19)15-17-14(18-21-15)9-20-11-4-2-1-3-5-11/h1-8,19H,9H2
InChIKeySSOWBTPULMFILO-UHFFFAOYSA-N
MW347.17 g/mol
LogP3.78
Rot. Bonds4

About 2-bromo-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol

2-bromo-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 104937955) has the molecular formula C15H11BrN2O3 and a molecular weight of 347.17 g/mol. Its IUPAC name is 2-bromo-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-bromo-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID104937955
Molecular FormulaC15H11BrN2O3
Molecular Weight347.17 g/mol
Exact Mass346.00
IUPAC Name2-bromo-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1cc(-c2nc(COc3ccccc3)no2)ccc1Br
InChIInChI=1S/C15H11BrN2O3/c16-12-7-6-10(8-13(12)19)15-17-14(18-21-15)9-20-11-4-2-1-3-5-11/h1-8,19H,9H2
InChIKeySSOWBTPULMFILO-UHFFFAOYSA-N
XLogP3.78
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63844897
3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63844357
5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 63844535
2-bromo-5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104938517
3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 42692255
3-[(3-methylphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 23205015
2-bromo-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol
CID 104938437
[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 106484747
2-bromo-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104937985
5-phenyl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692252
2-bromo-5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 104937973
5-(3-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 42692369

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-bromo-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol (CID 104937955) is 2-bromo-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-bromo-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-bromo-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol is Oc1cc(-c2nc(COc3ccccc3)no2)ccc1Br.
What is the InChIKey of 2-bromo-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is SSOWBTPULMFILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O3/c16-12-7-6-10(8-13(12)19)15-17-14(18-21-15)9-20-11-4-2-1-3-5-11/h1-8,19H,9H2.
What are the key properties of 2-bromo-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol?
2-bromo-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 347.17 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 104937955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).