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

C13H15N3O2 — CID 79097164

IUPACcyclopropyl-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone
SMILESCCc1nc(Cn2ccc(C(=O)C3CC3)c2)no1
InChIInChI=1S/C13H15N3O2/c1-2-12-14-11(15-18-12)8-16-6-5-10(7-16)13(17)9-3-4-9/h5-7,9H,2-4,8H2,1H3
InChIKeyNTJUQNVGBCWHRE-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.07
Rot. Bonds5

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

cyclopropyl-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone (PubChem CID 79097164) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is cyclopropyl-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone
PubChem CID79097164
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Namecyclopropyl-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone
SMILESCCc1nc(Cn2ccc(C(=O)C3CC3)c2)no1
InChIInChI=1S/C13H15N3O2/c1-2-12-14-11(15-18-12)8-16-6-5-10(7-16)13(17)9-3-4-9/h5-7,9H,2-4,8H2,1H3
InChIKeyNTJUQNVGBCWHRE-UHFFFAOYSA-N
XLogP2.07
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone?
The IUPAC name of cyclopropyl-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone (CID 79097164) is cyclopropyl-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone.
What is the SMILES notation for cyclopropyl-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone?
The canonical SMILES for cyclopropyl-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone is CCc1nc(Cn2ccc(C(=O)C3CC3)c2)no1.
What is the InChIKey of cyclopropyl-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone?
The InChIKey is NTJUQNVGBCWHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-12-14-11(15-18-12)8-16-6-5-10(7-16)13(17)9-3-4-9/h5-7,9H,2-4,8H2,1H3.
What are the key properties of cyclopropyl-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone?
cyclopropyl-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone has a molecular weight of 245.28 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone is sourced from PubChem (CID 79097164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).