cyclopropyl-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanone

C14H15N3O2 — CID 79098099

IUPACcyclopropyl-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanone
SMILESO=C(c1ccn(Cc2nc(C3CC3)no2)c1)C1CC1
InChIInChI=1S/C14H15N3O2/c18-13(9-1-2-9)11-5-6-17(7-11)8-12-15-14(16-19-12)10-3-4-10/h5-7,9-10H,1-4,8H2
InChIKeyPIRMXWGWRRZNJZ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.39
Rot. Bonds5

About cyclopropyl-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanone

cyclopropyl-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanone (PubChem CID 79098099) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is cyclopropyl-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanone
PubChem CID79098099
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Namecyclopropyl-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanone
SMILESO=C(c1ccn(Cc2nc(C3CC3)no2)c1)C1CC1
InChIInChI=1S/C14H15N3O2/c18-13(9-1-2-9)11-5-6-17(7-11)8-12-15-14(16-19-12)10-3-4-10/h5-7,9-10H,1-4,8H2
InChIKeyPIRMXWGWRRZNJZ-UHFFFAOYSA-N
XLogP2.39
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclopropyl-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanone?
The IUPAC name of cyclopropyl-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanone (CID 79098099) is cyclopropyl-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanone.
What is the SMILES notation for cyclopropyl-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanone?
The canonical SMILES for cyclopropyl-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanone is O=C(c1ccn(Cc2nc(C3CC3)no2)c1)C1CC1.
What is the InChIKey of cyclopropyl-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanone?
The InChIKey is PIRMXWGWRRZNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-13(9-1-2-9)11-5-6-17(7-11)8-12-15-14(16-19-12)10-3-4-10/h5-7,9-10H,1-4,8H2.
What are the key properties of cyclopropyl-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanone?
cyclopropyl-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanone has a molecular weight of 257.29 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanone is sourced from PubChem (CID 79098099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).