1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one

C13H21N3O2 — CID 72911621

IUPAC1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one
SMILESCCc1nnc(CN2CC(CC(C)C)CC2=O)o1
InChIInChI=1S/C13H21N3O2/c1-4-11-14-15-12(18-11)8-16-7-10(5-9(2)3)6-13(16)17/h9-10H,4-8H2,1-3H3
InChIKeyPAQVREDUGVTKPH-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.03
Rot. Bonds5

About 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one

1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 72911621) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one
PubChem CID72911621
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one
SMILESCCc1nnc(CN2CC(CC(C)C)CC2=O)o1
InChIInChI=1S/C13H21N3O2/c1-4-11-14-15-12(18-11)8-16-7-10(5-9(2)3)6-13(16)17/h9-10H,4-8H2,1-3H3
InChIKeyPAQVREDUGVTKPH-UHFFFAOYSA-N
XLogP2.03
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one (CID 72911621) is 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one is CCc1nnc(CN2CC(CC(C)C)CC2=O)o1.
What is the InChIKey of 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is PAQVREDUGVTKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-11-14-15-12(18-11)8-16-7-10(5-9(2)3)6-13(16)17/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one?
1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 251.33 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 72911621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).