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

C14H21N3O4 — CID 106414692

IUPAC4-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NCCc2nc(C)no2)C1
InChIInChI=1S/C14H21N3O4/c1-3-9-6-10(11(7-9)14(19)20)13(18)15-5-4-12-16-8(2)17-21-12/h9-11H,3-7H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyVRUCCVGQKLKLAF-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.17
Rot. Bonds6

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

4-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 106414692) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID106414692
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name4-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NCCc2nc(C)no2)C1
InChIInChI=1S/C14H21N3O4/c1-3-9-6-10(11(7-9)14(19)20)13(18)15-5-4-12-16-8(2)17-21-12/h9-11H,3-7H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyVRUCCVGQKLKLAF-UHFFFAOYSA-N
XLogP1.17
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975923
cis-(1R,2S)-4-ethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106394700
4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 103796117
4,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 146123022
cis-(1R,2S)-2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131462
trans-(1R,2R)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131417
2-(2-ethoxyethylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114511477
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 106420746
4-ethyl-2-(2-methylsulfinylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114512108
4-ethyl-2-(2-methylprop-2-enylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114615292
N'-(cyanomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxamide
CID 106417469
2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106415376

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid (CID 106414692) is 4-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)NCCc2nc(C)no2)C1.
What is the InChIKey of 4-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is VRUCCVGQKLKLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-3-9-6-10(11(7-9)14(19)20)13(18)15-5-4-12-16-8(2)17-21-12/h9-11H,3-7H2,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 4-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
4-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106414692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).