4-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid

C10H9BrN2O4 — CID 54929249

IUPAC4-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESO=C(O)CCCc1nnc(-c2ccc(Br)o2)o1
InChIInChI=1S/C10H9BrN2O4/c11-7-5-4-6(16-7)10-13-12-8(17-10)2-1-3-9(14)15/h4-5H,1-3H2,(H,14,15)
InChIKeyNHUUJDOQONMJJY-UHFFFAOYSA-N
MW301.10 g/mol
LogP2.50
Rot. Bonds5

About 4-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid

4-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid (PubChem CID 54929249) has the molecular formula C10H9BrN2O4 and a molecular weight of 301.10 g/mol. Its IUPAC name is 4-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
PubChem CID54929249
Molecular FormulaC10H9BrN2O4
Molecular Weight301.10 g/mol
Exact Mass299.97
IUPAC Name4-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESO=C(O)CCCc1nnc(-c2ccc(Br)o2)o1
InChIInChI=1S/C10H9BrN2O4/c11-7-5-4-6(16-7)10-13-12-8(17-10)2-1-3-9(14)15/h4-5H,1-3H2,(H,14,15)
InChIKeyNHUUJDOQONMJJY-UHFFFAOYSA-N
XLogP2.50
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.10
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 23986643
4-[5-(4,5-dibromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 80537709
4-[5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 114018570
4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 54929432
4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 39352729
2-[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetic acid
CID 61071152
4-[5-(5-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54930125
4-[5-(4-bromo-3-chlorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 81296148
4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 60906941
2-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetic acid
CID 61008533
4-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 60912310
4-[5-(3-bromo-5-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929793

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The IUPAC name of 4-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid (CID 54929249) is 4-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid.
What is the SMILES notation for 4-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The canonical SMILES for 4-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid is O=C(O)CCCc1nnc(-c2ccc(Br)o2)o1.
What is the InChIKey of 4-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The InChIKey is NHUUJDOQONMJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O4/c11-7-5-4-6(16-7)10-13-12-8(17-10)2-1-3-9(14)15/h4-5H,1-3H2,(H,14,15).
What are the key properties of 4-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
4-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid has a molecular weight of 301.10 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid is sourced from PubChem (CID 54929249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).