[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclobutylmethanone

C17H18ClN3O2 — CID 42765274

IUPAC[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclobutylmethanone
SMILESO=C(C1CCC1)N1CCCC1c1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C17H18ClN3O2/c18-13-7-2-6-12(10-13)15-19-16(23-20-15)14-8-3-9-21(14)17(22)11-4-1-5-11/h2,6-7,10-11,14H,1,3-5,8-9H2
InChIKeyJXYNOYAZWCDOBD-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.85
Rot. Bonds3

About [2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclobutylmethanone

[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclobutylmethanone (PubChem CID 42765274) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is [2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclobutylmethanone
PubChem CID42765274
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclobutylmethanone
SMILESO=C(C1CCC1)N1CCCC1c1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C17H18ClN3O2/c18-13-7-2-6-12(10-13)15-19-16(23-20-15)14-8-3-9-21(14)17(22)11-4-1-5-11/h2,6-7,10-11,14H,1,3-5,8-9H2
InChIKeyJXYNOYAZWCDOBD-UHFFFAOYSA-N
XLogP3.85
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclobutylmethanone?
The IUPAC name of [2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclobutylmethanone (CID 42765274) is [2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclobutylmethanone is O=C(C1CCC1)N1CCCC1c1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of [2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclobutylmethanone?
The InChIKey is JXYNOYAZWCDOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-13-7-2-6-12(10-13)15-19-16(23-20-15)14-8-3-9-21(14)17(22)11-4-1-5-11/h2,6-7,10-11,14H,1,3-5,8-9H2.
What are the key properties of [2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclobutylmethanone?
[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclobutylmethanone has a molecular weight of 331.80 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 42765274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).