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

C16H17ClN2O3 — CID 6623561

IUPAC2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(Cc2nc(-c3ccc(Cl)cc3)no2)CCCC1
InChIInChI=1S/C16H17ClN2O3/c17-12-5-3-11(4-6-12)15-18-13(22-19-15)9-16(10-14(20)21)7-1-2-8-16/h3-6H,1-2,7-10H2,(H,20,21)
InChIKeyAHEQESQTQCXZOE-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.97
Rot. Bonds5

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

2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid (PubChem CID 6623561) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
PubChem CID6623561
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(Cc2nc(-c3ccc(Cl)cc3)no2)CCCC1
InChIInChI=1S/C16H17ClN2O3/c17-12-5-3-11(4-6-12)15-18-13(22-19-15)9-16(10-14(20)21)7-1-2-8-16/h3-6H,1-2,7-10H2,(H,20,21)
InChIKeyAHEQESQTQCXZOE-UHFFFAOYSA-N
XLogP3.97
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
CID 43471028
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 64671445
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone
CID 63346525
3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]propanoic acid
CID 43466352
2-[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 54977860
2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanylmethyl]cyclopropyl]acetic acid
CID 65441527
[1-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine
CID 120838338
2-[1-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid
CID 107925264
3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]propanoic acid;hydrochloride
CID 119912219
1-[5-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863346
(1-aminocyclopentyl)-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119839925
5-(bromomethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 59402660

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid (CID 6623561) is 2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid is O=C(O)CC1(Cc2nc(-c3ccc(Cl)cc3)no2)CCCC1.
What is the InChIKey of 2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid?
The InChIKey is AHEQESQTQCXZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c17-12-5-3-11(4-6-12)15-18-13(22-19-15)9-16(10-14(20)21)7-1-2-8-16/h3-6H,1-2,7-10H2,(H,20,21).
What are the key properties of 2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid?
2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid has a molecular weight of 320.78 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid is sourced from PubChem (CID 6623561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).