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

C20H20N4O2 — CID 166253742

IUPAC4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCc1ccnc(-c2noc(C3CC(=O)N(C(C)c4ccccc4)C3)n2)c1
InChIInChI=1S/C20H20N4O2/c1-13-8-9-21-17(10-13)19-22-20(26-23-19)16-11-18(25)24(12-16)14(2)15-6-4-3-5-7-15/h3-10,14,16H,11-12H2,1-2H3
InChIKeyLNTGPWWJCOWEML-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.52
Rot. Bonds4

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

4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(1-phenylethyl)pyrrolidin-2-one (PubChem CID 166253742) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(1-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(1-phenylethyl)pyrrolidin-2-one
PubChem CID166253742
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCc1ccnc(-c2noc(C3CC(=O)N(C(C)c4ccccc4)C3)n2)c1
InChIInChI=1S/C20H20N4O2/c1-13-8-9-21-17(10-13)19-22-20(26-23-19)16-11-18(25)24(12-16)14(2)15-6-4-3-5-7-15/h3-10,14,16H,11-12H2,1-2H3
InChIKeyLNTGPWWJCOWEML-UHFFFAOYSA-N
XLogP3.52
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(1-phenylethyl)pyrrolidin-2-one with MolForge

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Related Compounds

4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-(1-phenylethyl)pyrrolidin-2-one
CID 22110781
5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 104899226
(4R)-1-benzyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 51894139
4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)pyrrolidin-2-one
CID 139000989
4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-propan-2-ylpyrrolidin-2-one
CID 72911459
(4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 41014813
(4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-pentan-3-ylpyrrolidin-2-one
CID 99130333
(4R)-1-(4-fluorophenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 41014921
(4R)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
CID 51896263
5-[(2R,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 167874946
5-[1-[(1R)-1-phenylethyl]azetidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 94219095
3-(4-methyl-2-pyridinyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914942

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(1-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(1-phenylethyl)pyrrolidin-2-one (CID 166253742) is 4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(1-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(1-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(1-phenylethyl)pyrrolidin-2-one is Cc1ccnc(-c2noc(C3CC(=O)N(C(C)c4ccccc4)C3)n2)c1.
What is the InChIKey of 4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(1-phenylethyl)pyrrolidin-2-one?
The InChIKey is LNTGPWWJCOWEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-8-9-21-17(10-13)19-22-20(26-23-19)16-11-18(25)24(12-16)14(2)15-6-4-3-5-7-15/h3-10,14,16H,11-12H2,1-2H3.
What are the key properties of 4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(1-phenylethyl)pyrrolidin-2-one?
4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(1-phenylethyl)pyrrolidin-2-one has a molecular weight of 348.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(1-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 166253742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).