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

C14H17N3O2 — CID 79096912

IUPACcyclopropyl-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone
SMILESCCCc1nc(Cn2ccc(C(=O)C3CC3)c2)no1
InChIInChI=1S/C14H17N3O2/c1-2-3-13-15-12(16-19-13)9-17-7-6-11(8-17)14(18)10-4-5-10/h6-8,10H,2-5,9H2,1H3
InChIKeyLNOGYQKIPSZVRY-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.46
Rot. Bonds6

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

cyclopropyl-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone (PubChem CID 79096912) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is cyclopropyl-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone
PubChem CID79096912
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Namecyclopropyl-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone
SMILESCCCc1nc(Cn2ccc(C(=O)C3CC3)c2)no1
InChIInChI=1S/C14H17N3O2/c1-2-3-13-15-12(16-19-13)9-17-7-6-11(8-17)14(18)10-4-5-10/h6-8,10H,2-5,9H2,1H3
InChIKeyLNOGYQKIPSZVRY-UHFFFAOYSA-N
XLogP2.46
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone?
The IUPAC name of cyclopropyl-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone (CID 79096912) is cyclopropyl-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone.
What is the SMILES notation for cyclopropyl-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone?
The canonical SMILES for cyclopropyl-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone is CCCc1nc(Cn2ccc(C(=O)C3CC3)c2)no1.
What is the InChIKey of cyclopropyl-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone?
The InChIKey is LNOGYQKIPSZVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-3-13-15-12(16-19-13)9-17-7-6-11(8-17)14(18)10-4-5-10/h6-8,10H,2-5,9H2,1H3.
What are the key properties of cyclopropyl-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone?
cyclopropyl-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone has a molecular weight of 259.31 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone is sourced from PubChem (CID 79096912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).