5-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid

C15H17N3O5 — CID 126778226

IUPAC5-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid
SMILESCC(NC(=O)c1cc(C(=O)O)co1)c1nc(C2CCCC2)no1
InChIInChI=1S/C15H17N3O5/c1-8(14-17-12(18-23-14)9-4-2-3-5-9)16-13(19)11-6-10(7-22-11)15(20)21/h6-9H,2-5H2,1H3,(H,16,19)(H,20,21)
InChIKeyUEXWGQKNPWIEIM-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.51
Rot. Bonds5

About 5-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid

5-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid (PubChem CID 126778226) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is 5-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid
PubChem CID126778226
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Name5-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid
SMILESCC(NC(=O)c1cc(C(=O)O)co1)c1nc(C2CCCC2)no1
InChIInChI=1S/C15H17N3O5/c1-8(14-17-12(18-23-14)9-4-2-3-5-9)16-13(19)11-6-10(7-22-11)15(20)21/h6-9H,2-5H2,1H3,(H,16,19)(H,20,21)
InChIKeyUEXWGQKNPWIEIM-UHFFFAOYSA-N
XLogP2.51
TPSA118.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119817375
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]furan-3-carboxamide
CID 122564099
N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 75375403
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111540799
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 125439668
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 119817384
3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 119817400
3-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 122004494
1-[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 95960904
1-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 96520156
3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119817373
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methoxy-2-propan-2-yloxybenzamide
CID 154862506

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid (CID 126778226) is 5-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid is CC(NC(=O)c1cc(C(=O)O)co1)c1nc(C2CCCC2)no1.
What is the InChIKey of 5-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid?
The InChIKey is UEXWGQKNPWIEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5/c1-8(14-17-12(18-23-14)9-4-2-3-5-9)16-13(19)11-6-10(7-22-11)15(20)21/h6-9H,2-5H2,1H3,(H,16,19)(H,20,21).
What are the key properties of 5-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid?
5-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid has a molecular weight of 319.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 126778226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).