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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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).