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

C18H24N4O2 — CID 75515714

IUPAC1-[3-[1-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethylamino]ethyl]phenyl]pyrrolidin-2-one
SMILESCCc1nnc(C(C)NC(C)c2cccc(N3CCCC3=O)c2)o1
InChIInChI=1S/C18H24N4O2/c1-4-16-20-21-18(24-16)13(3)19-12(2)14-7-5-8-15(11-14)22-10-6-9-17(22)23/h5,7-8,11-13,19H,4,6,9-10H2,1-3H3
InChIKeyGDWVFTRAPKFEQK-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.17
Rot. Bonds6

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

1-[3-[1-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethylamino]ethyl]phenyl]pyrrolidin-2-one (PubChem CID 75515714) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[3-[1-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethylamino]ethyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[1-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethylamino]ethyl]phenyl]pyrrolidin-2-one
PubChem CID75515714
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[3-[1-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethylamino]ethyl]phenyl]pyrrolidin-2-one
SMILESCCc1nnc(C(C)NC(C)c2cccc(N3CCCC3=O)c2)o1
InChIInChI=1S/C18H24N4O2/c1-4-16-20-21-18(24-16)13(3)19-12(2)14-7-5-8-15(11-14)22-10-6-9-17(22)23/h5,7-8,11-13,19H,4,6,9-10H2,1-3H3
InChIKeyGDWVFTRAPKFEQK-UHFFFAOYSA-N
XLogP3.17
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[1-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethylamino]ethyl]phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[3-[(1S)-1-(cyclohexylmethylamino)ethyl]phenyl]pyrrolidin-2-one
CID 124692957
1-[3-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 75471690
1-[3-[(1S)-1-[[(1S)-1-(furan-2-yl)-2-methoxyethyl]amino]ethyl]phenyl]pyrrolidin-2-one
CID 97323252
2-(cyclopropylmethylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide
CID 119755997
1-[3-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 60614108
2-methyl-3-(methylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119756000
1-[3-[(1R)-1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)ethyl]phenyl]pyrrolidin-2-one
CID 95149643
2-amino-2-methyl-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119307539
6-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]pyridine-2-carboxylic acid
CID 122053307
5-[[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]methyl]furan-3-carboxamide
CID 167777508
2-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2-phenylacetamide
CID 119307558
3-(2-aminophenyl)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide
CID 120609962

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethylamino]ethyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[1-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethylamino]ethyl]phenyl]pyrrolidin-2-one (CID 75515714) is 1-[3-[1-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethylamino]ethyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[1-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethylamino]ethyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[1-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethylamino]ethyl]phenyl]pyrrolidin-2-one is CCc1nnc(C(C)NC(C)c2cccc(N3CCCC3=O)c2)o1.
What is the InChIKey of 1-[3-[1-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethylamino]ethyl]phenyl]pyrrolidin-2-one?
The InChIKey is GDWVFTRAPKFEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-4-16-20-21-18(24-16)13(3)19-12(2)14-7-5-8-15(11-14)22-10-6-9-17(22)23/h5,7-8,11-13,19H,4,6,9-10H2,1-3H3.
What are the key properties of 1-[3-[1-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethylamino]ethyl]phenyl]pyrrolidin-2-one?
1-[3-[1-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethylamino]ethyl]phenyl]pyrrolidin-2-one has a molecular weight of 328.42 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethylamino]ethyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 75515714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).