2-methyl-5-[1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]-1,3,4-oxadiazole

C19H27N3O2 — CID 71846094

IUPAC2-methyl-5-[1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]-1,3,4-oxadiazole
SMILESCc1nnc(C2CCCN2CCOc2ccc(C(C)C)c(C)c2)o1
InChIInChI=1S/C19H27N3O2/c1-13(2)17-8-7-16(12-14(17)3)23-11-10-22-9-5-6-18(22)19-21-20-15(4)24-19/h7-8,12-13,18H,5-6,9-11H2,1-4H3
InChIKeyHJCKINGZGJFRBY-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.03
Rot. Bonds6

About 2-methyl-5-[1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]-1,3,4-oxadiazole

2-methyl-5-[1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]-1,3,4-oxadiazole (PubChem CID 71846094) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-methyl-5-[1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]-1,3,4-oxadiazole
PubChem CID71846094
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name2-methyl-5-[1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]-1,3,4-oxadiazole
SMILESCc1nnc(C2CCCN2CCOc2ccc(C(C)C)c(C)c2)o1
InChIInChI=1S/C19H27N3O2/c1-13(2)17-8-7-16(12-14(17)3)23-11-10-22-9-5-6-18(22)19-21-20-15(4)24-19/h7-8,12-13,18H,5-6,9-11H2,1-4H3
InChIKeyHJCKINGZGJFRBY-UHFFFAOYSA-N
XLogP4.03
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]-1,3,4-oxadiazole (CID 71846094) is 2-methyl-5-[1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]-1,3,4-oxadiazole is Cc1nnc(C2CCCN2CCOc2ccc(C(C)C)c(C)c2)o1.
What is the InChIKey of 2-methyl-5-[1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]-1,3,4-oxadiazole?
The InChIKey is HJCKINGZGJFRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13(2)17-8-7-16(12-14(17)3)23-11-10-22-9-5-6-18(22)19-21-20-15(4)24-19/h7-8,12-13,18H,5-6,9-11H2,1-4H3.
What are the key properties of 2-methyl-5-[1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]-1,3,4-oxadiazole?
2-methyl-5-[1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]-1,3,4-oxadiazole has a molecular weight of 329.44 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 71846094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).