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

C13H10BrN3O2S — CID 104937973

IUPAC2-bromo-5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1nc(Cc2noc(-c3ccc(Br)c(O)c3)n2)cs1
InChIInChI=1S/C13H10BrN3O2S/c1-7-15-9(6-20-7)5-12-16-13(19-17-12)8-2-3-10(14)11(18)4-8/h2-4,6,18H,5H2,1H3
InChIKeyIQIYGGLRIPLGRH-UHFFFAOYSA-N
MW352.21 g/mol
LogP3.56
Rot. Bonds3

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

2-bromo-5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 104937973) has the molecular formula C13H10BrN3O2S and a molecular weight of 352.21 g/mol. Its IUPAC name is 2-bromo-5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-bromo-5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol
PubChem CID104937973
Molecular FormulaC13H10BrN3O2S
Molecular Weight352.21 g/mol
Exact Mass350.97
IUPAC Name2-bromo-5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1nc(Cc2noc(-c3ccc(Br)c(O)c3)n2)cs1
InChIInChI=1S/C13H10BrN3O2S/c1-7-15-9(6-20-7)5-12-16-13(19-17-12)8-2-3-10(14)11(18)4-8/h2-4,6,18H,5H2,1H3
InChIKeyIQIYGGLRIPLGRH-UHFFFAOYSA-N
XLogP3.56
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzoic acid
CID 62925499
2-bromo-5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104938517
2-bromo-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol
CID 104938437
2-bromo-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104938026
2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzoic acid
CID 62799486
4-methyl-5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 62798415
2-bromo-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104937955
2,4-dimethyl-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 63112673
5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]-1H-pyrrole-3-carbonitrile
CID 136908918
2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136751064
2-methyl-5-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 63844920
2-amino-4-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136872259

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-bromo-5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol (CID 104937973) is 2-bromo-5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-bromo-5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-bromo-5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol is Cc1nc(Cc2noc(-c3ccc(Br)c(O)c3)n2)cs1.
What is the InChIKey of 2-bromo-5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is IQIYGGLRIPLGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O2S/c1-7-15-9(6-20-7)5-12-16-13(19-17-12)8-2-3-10(14)11(18)4-8/h2-4,6,18H,5H2,1H3.
What are the key properties of 2-bromo-5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol?
2-bromo-5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 352.21 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 104937973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).