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

C13H15N3O3 — CID 136984611

IUPAC4-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(c2nc(-c3ccc[nH]3)no2)C1
InChIInChI=1S/C13H15N3O3/c1-7-5-8(9(6-7)13(17)18)12-15-11(16-19-12)10-3-2-4-14-10/h2-4,7-9,14H,5-6H2,1H3,(H,17,18)
InChIKeySIIVVLUHLOKWKD-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.28
Rot. Bonds3

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

4-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid (PubChem CID 136984611) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
PubChem CID136984611
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name4-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(c2nc(-c3ccc[nH]3)no2)C1
InChIInChI=1S/C13H15N3O3/c1-7-5-8(9(6-7)13(17)18)12-15-11(16-19-12)10-3-2-4-14-10/h2-4,7-9,14H,5-6H2,1H3,(H,17,18)
InChIKeySIIVVLUHLOKWKD-UHFFFAOYSA-N
XLogP2.28
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

2-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclopentane-1-carboxylic acid
CID 114392714
5-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid
CID 136843995
2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 136770990
5-cyclopropyl-3-(1H-pyrrol-2-yl)-1,2,4-oxadiazole
CID 141133927
4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 136990360
4-methyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid
CID 114392630
4-methyl-2-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 114392657
4-ethyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid
CID 114512896
N-ethyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 136990369
N-propyl-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 136984474
2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
CID 63948617
2-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
CID 60791232

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid (CID 136984611) is 4-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid is CC1CC(C(=O)O)C(c2nc(-c3ccc[nH]3)no2)C1.
What is the InChIKey of 4-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
The InChIKey is SIIVVLUHLOKWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-7-5-8(9(6-7)13(17)18)12-15-11(16-19-12)10-3-2-4-14-10/h2-4,7-9,14H,5-6H2,1H3,(H,17,18).
What are the key properties of 4-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
4-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 136984611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).