1-[[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid

C14H20N2O3 — CID 112754197

IUPAC1-[[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Cc2nc(CC3CCC3)no2)CCCC1
InChIInChI=1S/C14H20N2O3/c17-13(18)14(6-1-2-7-14)9-12-15-11(16-19-12)8-10-4-3-5-10/h10H,1-9H2,(H,17,18)
InChIKeyKZBBHMBACRNMNW-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.60
Rot. Bonds5

About 1-[[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid

1-[[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid (PubChem CID 112754197) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
PubChem CID112754197
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Cc2nc(CC3CCC3)no2)CCCC1
InChIInChI=1S/C14H20N2O3/c17-13(18)14(6-1-2-7-14)9-12-15-11(16-19-12)8-10-4-3-5-10/h10H,1-9H2,(H,17,18)
InChIKeyKZBBHMBACRNMNW-UHFFFAOYSA-N
XLogP2.60
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
CID 61412293
1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
CID 82007641
1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cycloheptane-1-carboxylic acid
CID 82008732
2-[1-[[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 103985919
1-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid
CID 79201753
1-[[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
CID 115385399
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
CID 43471028
1-[[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
CID 80683706
1-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid
CID 116704758
1-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
CID 116704774
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
CID 43471110
3-[3-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 115081851

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid (CID 112754197) is 1-[[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid is O=C(O)C1(Cc2nc(CC3CCC3)no2)CCCC1.
What is the InChIKey of 1-[[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is KZBBHMBACRNMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-13(18)14(6-1-2-7-14)9-12-15-11(16-19-12)8-10-4-3-5-10/h10H,1-9H2,(H,17,18).
What are the key properties of 1-[[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid?
1-[[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 112754197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).