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

C13H20N2O3 — CID 59912914

IUPAC2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid
SMILESCCCc1noc(CC2(CC(=O)O)CCCC2)n1
InChIInChI=1S/C13H20N2O3/c1-2-5-10-14-11(18-15-10)8-13(9-12(16)17)6-3-4-7-13/h2-9H2,1H3,(H,16,17)
InChIKeyXXNFAUGPSJVCMF-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.60
Rot. Bonds6

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

2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid (PubChem CID 59912914) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid
PubChem CID59912914
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid
SMILESCCCc1noc(CC2(CC(=O)O)CCCC2)n1
InChIInChI=1S/C13H20N2O3/c1-2-5-10-14-11(18-15-10)8-13(9-12(16)17)6-3-4-7-13/h2-9H2,1H3,(H,16,17)
InChIKeyXXNFAUGPSJVCMF-UHFFFAOYSA-N
XLogP2.60
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 54977860
2-[1-[[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid
CID 79077575
2-[1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 65137858
2-[1-[[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 103985919
2-[1-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid
CID 107925264
2-[1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 116705047
2-[1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 116743957
2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 6623561
cis-(1R,2R)-2-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-ol
CID 125451735
2-[1-[[5-(2-propoxyethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetic acid
CID 62716683
2-[1-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid
CID 80620158
2-[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 120841840

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid (CID 59912914) is 2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid is CCCc1noc(CC2(CC(=O)O)CCCC2)n1.
What is the InChIKey of 2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid?
The InChIKey is XXNFAUGPSJVCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-5-10-14-11(18-15-10)8-13(9-12(16)17)6-3-4-7-13/h2-9H2,1H3,(H,16,17).
What are the key properties of 2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid?
2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid has a molecular weight of 252.31 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid is sourced from PubChem (CID 59912914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).