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

C12H8BrN3O2 — CID 137001716

IUPAC5-bromo-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1cc(Br)ccc1-c1nc(-c2ccc[nH]2)no1
InChIInChI=1S/C12H8BrN3O2/c13-7-3-4-8(10(17)6-7)12-15-11(16-18-12)9-2-1-5-14-9/h1-6,14,17H
InChIKeyBXWVPNFRJARTRG-UHFFFAOYSA-N
MW306.12 g/mol
LogP3.20
Rot. Bonds2

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

5-bromo-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 137001716) has the molecular formula C12H8BrN3O2 and a molecular weight of 306.12 g/mol. Its IUPAC name is 5-bromo-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name5-bromo-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID137001716
Molecular FormulaC12H8BrN3O2
Molecular Weight306.12 g/mol
Exact Mass304.98
IUPAC Name5-bromo-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1cc(Br)ccc1-c1nc(-c2ccc[nH]2)no1
InChIInChI=1S/C12H8BrN3O2/c13-7-3-4-8(10(17)6-7)12-15-11(16-18-12)9-2-1-5-14-9/h1-6,14,17H
InChIKeyBXWVPNFRJARTRG-UHFFFAOYSA-N
XLogP3.20
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 137001702
5-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136847715
3-(4-bromo-2-tert-butylphenyl)-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole
CID 141286114
2-methyl-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136927432
2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 136984590
4,5-difluoro-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 136984619
4-iodo-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 136984308
5-methoxy-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 136984514
5-ethyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 136990328
4-bromo-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809735
N-methyl-2-[2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 136984550
5-cyclopropyl-3-(1H-pyrrol-2-yl)-1,2,4-oxadiazole
CID 141133927

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 5-bromo-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol (CID 137001716) is 5-bromo-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 5-bromo-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 5-bromo-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol is Oc1cc(Br)ccc1-c1nc(-c2ccc[nH]2)no1.
What is the InChIKey of 5-bromo-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is BXWVPNFRJARTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O2/c13-7-3-4-8(10(17)6-7)12-15-11(16-18-12)9-2-1-5-14-9/h1-6,14,17H.
What are the key properties of 5-bromo-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
5-bromo-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 306.12 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 137001716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).