2-[[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid

C9H7BrN2O4S — CID 63798602

IUPAC2-[[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
SMILESO=C(O)COCc1nnc(-c2sccc2Br)o1
InChIInChI=1S/C9H7BrN2O4S/c10-5-1-2-17-8(5)9-12-11-6(16-9)3-15-4-7(13)14/h1-2H,3-4H2,(H,13,14)
InChIKeyQYLITGPEBSWZLX-UHFFFAOYSA-N
MW319.14 g/mol
LogP2.16
Rot. Bonds5

About 2-[[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid

2-[[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid (PubChem CID 63798602) has the molecular formula C9H7BrN2O4S and a molecular weight of 319.14 g/mol. Its IUPAC name is 2-[[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
PubChem CID63798602
Molecular FormulaC9H7BrN2O4S
Molecular Weight319.14 g/mol
Exact Mass317.93
IUPAC Name2-[[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
SMILESO=C(O)COCc1nnc(-c2sccc2Br)o1
InChIInChI=1S/C9H7BrN2O4S/c10-5-1-2-17-8(5)9-12-11-6(16-9)3-15-4-7(13)14/h1-2H,3-4H2,(H,13,14)
InChIKeyQYLITGPEBSWZLX-UHFFFAOYSA-N
XLogP2.16
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
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2-[[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 65198741
2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 65216400
2-[[5-(5-methylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 61327899
2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 61329835
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 61327335
2-[[5-(2,3,4-trifluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 79749471
2-[[5-(1H-pyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 135969087
2-[[5-(6-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 136710745
2-[[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 114103591
2-(3-bromothiophen-2-yl)-5-iodo-1,3,4-oxadiazole
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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
The IUPAC name of 2-[[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid (CID 63798602) is 2-[[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid is O=C(O)COCc1nnc(-c2sccc2Br)o1.
What is the InChIKey of 2-[[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
The InChIKey is QYLITGPEBSWZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O4S/c10-5-1-2-17-8(5)9-12-11-6(16-9)3-15-4-7(13)14/h1-2H,3-4H2,(H,13,14).
What are the key properties of 2-[[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
2-[[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid has a molecular weight of 319.14 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid is sourced from PubChem (CID 63798602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).