5-[4-(cyclobutylmethyl)pyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole

C20H27N3O — CID 166545258

IUPAC5-[4-(cyclobutylmethyl)pyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole
SMILESc1ccc(CCCc2noc(C3CC(CC4CCC4)CN3)n2)cc1
InChIInChI=1S/C20H27N3O/c1-2-6-15(7-3-1)8-5-11-19-22-20(24-23-19)18-13-17(14-21-18)12-16-9-4-10-16/h1-3,6-7,16-18,21H,4-5,8-14H2
InChIKeyOOTPYMASXMLZLY-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.09
Rot. Bonds7

About 5-[4-(cyclobutylmethyl)pyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole

5-[4-(cyclobutylmethyl)pyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole (PubChem CID 166545258) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 5-[4-(cyclobutylmethyl)pyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(cyclobutylmethyl)pyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole
PubChem CID166545258
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name5-[4-(cyclobutylmethyl)pyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole
SMILESc1ccc(CCCc2noc(C3CC(CC4CCC4)CN3)n2)cc1
InChIInChI=1S/C20H27N3O/c1-2-6-15(7-3-1)8-5-11-19-22-20(24-23-19)18-13-17(14-21-18)12-16-9-4-10-16/h1-3,6-7,16-18,21H,4-5,8-14H2
InChIKeyOOTPYMASXMLZLY-UHFFFAOYSA-N
XLogP4.09
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclobutylmethyl)pyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(cyclobutylmethyl)pyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole (CID 166545258) is 5-[4-(cyclobutylmethyl)pyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(cyclobutylmethyl)pyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(cyclobutylmethyl)pyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole is c1ccc(CCCc2noc(C3CC(CC4CCC4)CN3)n2)cc1.
What is the InChIKey of 5-[4-(cyclobutylmethyl)pyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole?
The InChIKey is OOTPYMASXMLZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-2-6-15(7-3-1)8-5-11-19-22-20(24-23-19)18-13-17(14-21-18)12-16-9-4-10-16/h1-3,6-7,16-18,21H,4-5,8-14H2.
What are the key properties of 5-[4-(cyclobutylmethyl)pyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole?
5-[4-(cyclobutylmethyl)pyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole has a molecular weight of 325.46 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclobutylmethyl)pyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 166545258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).