3-[ethyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-1-phenylpyrrolidin-2-one

C18H24N4O2 — CID 56785991

IUPAC3-[ethyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-1-phenylpyrrolidin-2-one
SMILESCCN(Cc1nnc(C(C)C)o1)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C18H24N4O2/c1-4-21(12-16-19-20-17(24-16)13(2)3)15-10-11-22(18(15)23)14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3
InChIKeyTYODCFXBIAWMLY-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.82
Rot. Bonds6

About 3-[ethyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-1-phenylpyrrolidin-2-one

3-[ethyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-1-phenylpyrrolidin-2-one (PubChem CID 56785991) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[ethyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[ethyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-1-phenylpyrrolidin-2-one
PubChem CID56785991
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-[ethyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-1-phenylpyrrolidin-2-one
SMILESCCN(Cc1nnc(C(C)C)o1)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C18H24N4O2/c1-4-21(12-16-19-20-17(24-16)13(2)3)15-10-11-22(18(15)23)14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3
InChIKeyTYODCFXBIAWMLY-UHFFFAOYSA-N
XLogP2.82
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[ethyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-1-phenylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-[ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-phenylpyrrolidin-2-one
CID 95619575
(3S)-3-[ethyl-[(2S)-2-hydroxy-3-methoxypropyl]amino]-1-phenylpyrrolidin-2-one
CID 129398366
3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-phenylpyrrolidin-2-one;hydrochloride
CID 120751794
(3S)-3-[methyl-[(1-phenyl-1,2,4-triazol-3-yl)methyl]amino]-1-phenylpyrrolidin-2-one
CID 124516406
3-[benzyl(ethyl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
CID 86771090
3-(2-oxo-1-phenylpyrrolidin-3-yl)-5-propyl-1,3,4-oxadiazol-2-one
CID 75381237
4-amino-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)pentanamide;hydrochloride
CID 120562641
3-[2-hydroxyethyl(methyl)amino]-1-phenylpyrrolidin-2-one
CID 111544278
2-amino-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide;hydrochloride
CID 119323654
N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[1.1.0]butane-1-carboxamide
CID 166427367
3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]propanoic acid
CID 119958678
3-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one
CID 97227131

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-1-phenylpyrrolidin-2-one?
The IUPAC name of 3-[ethyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-1-phenylpyrrolidin-2-one (CID 56785991) is 3-[ethyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 3-[ethyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 3-[ethyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-1-phenylpyrrolidin-2-one is CCN(Cc1nnc(C(C)C)o1)C1CCN(c2ccccc2)C1=O.
What is the InChIKey of 3-[ethyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-1-phenylpyrrolidin-2-one?
The InChIKey is TYODCFXBIAWMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-4-21(12-16-19-20-17(24-16)13(2)3)15-10-11-22(18(15)23)14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3.
What are the key properties of 3-[ethyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-1-phenylpyrrolidin-2-one?
3-[ethyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-1-phenylpyrrolidin-2-one has a molecular weight of 328.42 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 56785991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).