5-(3-methylpyrrolidin-3-yl)-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole

C17H21N3O — CID 63145065

IUPAC5-(3-methylpyrrolidin-3-yl)-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole
SMILESCC1(c2nc(C3(c4ccccc4)CCC3)no2)CCNC1
InChIInChI=1S/C17H21N3O/c1-16(10-11-18-12-16)15-19-14(20-21-15)17(8-5-9-17)13-6-3-2-4-7-13/h2-4,6-7,18H,5,8-12H2,1H3
InChIKeySHHPBBVTQBHYNS-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.79
Rot. Bonds3

About 5-(3-methylpyrrolidin-3-yl)-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole

5-(3-methylpyrrolidin-3-yl)-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole (PubChem CID 63145065) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 5-(3-methylpyrrolidin-3-yl)-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methylpyrrolidin-3-yl)-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole
PubChem CID63145065
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name5-(3-methylpyrrolidin-3-yl)-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole
SMILESCC1(c2nc(C3(c4ccccc4)CCC3)no2)CCNC1
InChIInChI=1S/C17H21N3O/c1-16(10-11-18-12-16)15-19-14(20-21-15)17(8-5-9-17)13-6-3-2-4-7-13/h2-4,6-7,18H,5,8-12H2,1H3
InChIKeySHHPBBVTQBHYNS-UHFFFAOYSA-N
XLogP2.79
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpyrrolidin-3-yl)-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methylpyrrolidin-3-yl)-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole (CID 63145065) is 5-(3-methylpyrrolidin-3-yl)-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methylpyrrolidin-3-yl)-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methylpyrrolidin-3-yl)-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole is CC1(c2nc(C3(c4ccccc4)CCC3)no2)CCNC1.
What is the InChIKey of 5-(3-methylpyrrolidin-3-yl)-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole?
The InChIKey is SHHPBBVTQBHYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-16(10-11-18-12-16)15-19-14(20-21-15)17(8-5-9-17)13-6-3-2-4-7-13/h2-4,6-7,18H,5,8-12H2,1H3.
What are the key properties of 5-(3-methylpyrrolidin-3-yl)-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole?
5-(3-methylpyrrolidin-3-yl)-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole has a molecular weight of 283.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpyrrolidin-3-yl)-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63145065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).