2-[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetic acid

C14H15BrN2O4 — CID 61071152

IUPAC2-[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(Cc2nnc(-c3ccc(Br)o3)o2)CCCC1
InChIInChI=1S/C14H15BrN2O4/c15-10-4-3-9(20-10)13-17-16-11(21-13)7-14(8-12(18)19)5-1-2-6-14/h3-4H,1-2,5-8H2,(H,18,19)
InChIKeyOTBLNFUMAVGSQX-UHFFFAOYSA-N
MW355.19 g/mol
LogP3.67
Rot. Bonds5

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

2-[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetic acid (PubChem CID 61071152) has the molecular formula C14H15BrN2O4 and a molecular weight of 355.19 g/mol. Its IUPAC name is 2-[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetic acid
PubChem CID61071152
Molecular FormulaC14H15BrN2O4
Molecular Weight355.19 g/mol
Exact Mass354.02
IUPAC Name2-[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(Cc2nnc(-c3ccc(Br)o3)o2)CCCC1
InChIInChI=1S/C14H15BrN2O4/c15-10-4-3-9(20-10)13-17-16-11(21-13)7-14(8-12(18)19)5-1-2-6-14/h3-4H,1-2,5-8H2,(H,18,19)
InChIKeyOTBLNFUMAVGSQX-UHFFFAOYSA-N
XLogP3.67
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetic acid with MolForge

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Related Compounds

2-[1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]acetic acid
CID 61071529
2-[1-[(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]acetic acid
CID 61071712
4-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929249
2-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetic acid
CID 61008533
1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 43441609
(2R)-2-amino-3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic acid
CID 61142097
2-[1-[[5-(2-propoxyethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetic acid
CID 62716683
2-[1-[(7-methyl-1,3-benzoxazol-2-yl)methyl]cyclopentyl]acetic acid
CID 79602585
2-[1-[(7-chloro-1,3-benzoxazol-2-yl)methyl]cyclohexyl]acetic acid
CID 81422591
2-[1-[(4-methyl-1,3-benzoxazol-2-yl)methyl]cyclohexyl]acetic acid
CID 61037452
[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-hydroxyadamantane-1-carboxylate
CID 16543489
methyl 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate
CID 16545573

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetic acid (CID 61071152) is 2-[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetic acid is O=C(O)CC1(Cc2nnc(-c3ccc(Br)o3)o2)CCCC1.
What is the InChIKey of 2-[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetic acid?
The InChIKey is OTBLNFUMAVGSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O4/c15-10-4-3-9(20-10)13-17-16-11(21-13)7-14(8-12(18)19)5-1-2-6-14/h3-4H,1-2,5-8H2,(H,18,19).
What are the key properties of 2-[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetic acid?
2-[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetic acid has a molecular weight of 355.19 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61071152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).