4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one

C14H17N5O2 — CID 136516267

IUPAC4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
SMILESCN(C)c1noc(C2CC(=O)N(Cc3ccccn3)C2)n1
InChIInChI=1S/C14H17N5O2/c1-18(2)14-16-13(21-17-14)10-7-12(20)19(8-10)9-11-5-3-4-6-15-11/h3-6,10H,7-9H2,1-2H3
InChIKeyVCXRERUGELPHAR-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.05
Rot. Bonds4

About 4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one

4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one (PubChem CID 136516267) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
PubChem CID136516267
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
SMILESCN(C)c1noc(C2CC(=O)N(Cc3ccccn3)C2)n1
InChIInChI=1S/C14H17N5O2/c1-18(2)14-16-13(21-17-14)10-7-12(20)19(8-10)9-11-5-3-4-6-15-11/h3-6,10H,7-9H2,1-2H3
InChIKeyVCXRERUGELPHAR-UHFFFAOYSA-N
XLogP1.05
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-2-one
CID 97147997
(4R)-1-benzyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 51894139
(4R)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
CID 51896263
4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 13422569
4-ethynyl-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 168501874
(4S)-4-[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 95120371
4-isocyanato-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 82024603
(4S)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 125137757
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-benzylpyrrolidin-2-one
CID 120850151
(3S)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97270697
(4S)-4-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 100844938
(6R)-6-(aminomethyl)-4-(pyridin-2-ylmethyl)morpholin-3-one
CID 42078812

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one (CID 136516267) is 4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one is CN(C)c1noc(C2CC(=O)N(Cc3ccccn3)C2)n1.
What is the InChIKey of 4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is VCXRERUGELPHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-18(2)14-16-13(21-17-14)10-7-12(20)19(8-10)9-11-5-3-4-6-15-11/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 287.32 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 136516267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).