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

C15H24N2O4 — CID 116705047

IUPAC2-[1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
SMILESCCOC(C)(C)c1noc(CC2(CC(=O)O)CCCC2)n1
InChIInChI=1S/C15H24N2O4/c1-4-20-14(2,3)13-16-11(21-17-13)9-15(10-12(18)19)7-5-6-8-15/h4-10H2,1-3H3,(H,18,19)
InChIKeyPPOQHJDUGCRXNX-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.92
Rot. Bonds7

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

2-[1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid (PubChem CID 116705047) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
PubChem CID116705047
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
SMILESCCOC(C)(C)c1noc(CC2(CC(=O)O)CCCC2)n1
InChIInChI=1S/C15H24N2O4/c1-4-20-14(2,3)13-16-11(21-17-13)9-15(10-12(18)19)7-5-6-8-15/h4-10H2,1-3H3,(H,18,19)
InChIKeyPPOQHJDUGCRXNX-UHFFFAOYSA-N
XLogP2.92
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[[3-(3,3,3-Trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 79953690
3,3-Dimethyl-4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 103473227
3-[3-(2,2,2-Trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552172
Methyl 4-[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanoate
CID 20824388
Methyl 4-[3-(5-hydroxypentyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanoate
CID 21064628
2-[1-[(3-Propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid
CID 59912914
1-[[3-(Methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
CID 54977806
2-[1-[[3-(Methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 54977860
3,3-Dimethyl-4-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 55156149
2-[1-[[3-(2-Methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 61069481
2-[1-[(3-Cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid
CID 61069483
2-[1-[(3-Methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid
CID 61069667

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid (CID 116705047) is 2-[1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid is CCOC(C)(C)c1noc(CC2(CC(=O)O)CCCC2)n1.
What is the InChIKey of 2-[1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid?
The InChIKey is PPOQHJDUGCRXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-4-20-14(2,3)13-16-11(21-17-13)9-15(10-12(18)19)7-5-6-8-15/h4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid?
2-[1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid has a molecular weight of 296.37 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid is sourced from PubChem (CID 116705047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).