2-[3-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid

C19H23N3O4 — CID 120549906

IUPAC2-[3-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid
SMILESCCc1nc(C2(NC(=O)CCc3ccccc3C(=O)O)CCCC2)no1
InChIInChI=1S/C19H23N3O4/c1-2-16-20-18(22-26-16)19(11-5-6-12-19)21-15(23)10-9-13-7-3-4-8-14(13)17(24)25/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,21,23)(H,24,25)
InChIKeyAXZIRJHLNRWINK-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.85
Rot. Bonds7

About 2-[3-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid

2-[3-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid (PubChem CID 120549906) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[3-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid.

Molecular Properties

Compound Name2-[3-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid
PubChem CID120549906
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name2-[3-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid
SMILESCCc1nc(C2(NC(=O)CCc3ccccc3C(=O)O)CCCC2)no1
InChIInChI=1S/C19H23N3O4/c1-2-16-20-18(22-26-16)19(11-5-6-12-19)21-15(23)10-9-13-7-3-4-8-14(13)17(24)25/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,21,23)(H,24,25)
InChIKeyAXZIRJHLNRWINK-UHFFFAOYSA-N
XLogP2.85
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 71864405
N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3,3-diphenylpropanamide
CID 60587499
3-(2,3-dichlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide
CID 38937786
3-(1H-indol-3-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide
CID 71943405
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55538479
4-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120674474
N-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 75376285
1-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(5-propyl-1,3-thiazol-2-yl)urea
CID 126781906
3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(3-phenoxyphenyl)propanamide
CID 52738993
3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(5-chloro-2-pyridinyl)propanamide
CID 47781119
4-[3-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid
CID 120549929
N-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 126780940

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid?
The IUPAC name of 2-[3-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid (CID 120549906) is 2-[3-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid.
What is the SMILES notation for 2-[3-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid?
The canonical SMILES for 2-[3-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid is CCc1nc(C2(NC(=O)CCc3ccccc3C(=O)O)CCCC2)no1.
What is the InChIKey of 2-[3-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid?
The InChIKey is AXZIRJHLNRWINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-2-16-20-18(22-26-16)19(11-5-6-12-19)21-15(23)10-9-13-7-3-4-8-14(13)17(24)25/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,21,23)(H,24,25).
What are the key properties of 2-[3-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid?
2-[3-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid has a molecular weight of 357.41 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid is sourced from PubChem (CID 120549906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).