1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid

C14H21N3O4 — CID 43351008

IUPAC1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCCCc1noc(CCC(=O)NC2(C(=O)O)CCCC2)n1
InChIInChI=1S/C14H21N3O4/c1-2-5-10-15-12(21-17-10)7-6-11(18)16-14(13(19)20)8-3-4-9-14/h2-9H2,1H3,(H,16,18)(H,19,20)
InChIKeyXCNUKXQXUZTFCG-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.47
Rot. Bonds7

About 1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid

1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 43351008) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID43351008
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCCCc1noc(CCC(=O)NC2(C(=O)O)CCCC2)n1
InChIInChI=1S/C14H21N3O4/c1-2-5-10-15-12(21-17-10)7-6-11(18)16-14(13(19)20)8-3-4-9-14/h2-9H2,1H3,(H,16,18)(H,19,20)
InChIKeyXCNUKXQXUZTFCG-UHFFFAOYSA-N
XLogP1.47
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 43351070
2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
CID 43469214
1-(butanoylamino)cyclobutane-1-carboxylic acid
CID 81158952
(2R)-3-hydroxy-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 80750774
3-hydroxy-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 43357554
2-cyclopropyl-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid
CID 62696305
N-[(1R,2R)-2-methylcyclohexyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 94811051
2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid
CID 59912914
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 103933442
cis-(1R,3S)-3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 106320037
1-(hexanoylamino)cycloheptane-1-carboxylic acid
CID 43341577
N-(1-hydroxybutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 43417872

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid (CID 43351008) is 1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid is CCCc1noc(CCC(=O)NC2(C(=O)O)CCCC2)n1.
What is the InChIKey of 1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is XCNUKXQXUZTFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-2-5-10-15-12(21-17-10)7-6-11(18)16-14(13(19)20)8-3-4-9-14/h2-9H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid?
1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43351008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).