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

C13H14BrN3O3 — CID 104938053

IUPAC2-bromo-5-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCN1CCOC(c2noc(-c3ccc(Br)c(O)c3)n2)C1
InChIInChI=1S/C13H14BrN3O3/c1-17-4-5-19-11(7-17)12-15-13(20-16-12)8-2-3-9(14)10(18)6-8/h2-3,6,11,18H,4-5,7H2,1H3
InChIKeyAYIRPPWOWOVFFT-UHFFFAOYSA-N
MW340.18 g/mol
LogP2.21
Rot. Bonds2

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

2-bromo-5-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 104938053) has the molecular formula C13H14BrN3O3 and a molecular weight of 340.18 g/mol. Its IUPAC name is 2-bromo-5-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-bromo-5-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID104938053
Molecular FormulaC13H14BrN3O3
Molecular Weight340.18 g/mol
Exact Mass339.02
IUPAC Name2-bromo-5-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCN1CCOC(c2noc(-c3ccc(Br)c(O)c3)n2)C1
InChIInChI=1S/C13H14BrN3O3/c1-17-4-5-19-11(7-17)12-15-13(20-16-12)8-2-3-9(14)10(18)6-8/h2-3,6,11,18H,4-5,7H2,1H3
InChIKeyAYIRPPWOWOVFFT-UHFFFAOYSA-N
XLogP2.21
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79078232
3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 79086384
2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine
CID 75483942
2-fluoro-5-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79077241
2-bromo-5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 104938539
2-methyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 82831065
2-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine
CID 75483946
(2S)-2-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylmorpholine
CID 97343741
2-bromo-4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79665076
3-methyl-2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79078448
4-chloro-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79077142
2-bromo-5-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 107037383

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-bromo-5-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol (CID 104938053) is 2-bromo-5-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-bromo-5-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-bromo-5-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol is CN1CCOC(c2noc(-c3ccc(Br)c(O)c3)n2)C1.
What is the InChIKey of 2-bromo-5-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is AYIRPPWOWOVFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O3/c1-17-4-5-19-11(7-17)12-15-13(20-16-12)8-2-3-9(14)10(18)6-8/h2-3,6,11,18H,4-5,7H2,1H3.
What are the key properties of 2-bromo-5-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
2-bromo-5-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 340.18 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 104938053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).