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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Related Compounds

4-(2-methylpropyl)-1-[[(4S)-4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]methyl]pyrrolidin-2-one
CID 166734845
(4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one
CID 97284135
(4R)-4-(2-methylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one
CID 97273176
2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid
CID 116684166
2,5-diethyl-1,3,4-oxadiazole
CID 11029848
2-ethyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 51074717
(4S)-4-(2-methylpropyl)-1-[[(3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidin-2-one
CID 171394589
4-(aminomethyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one
CID 82508028
4-benzyl-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one
CID 72904242
[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62062546
1-(chloromethyl)-4-(2,2-difluoroethyl)pyrrolidin-2-one
CID 67116762
1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338759

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).