N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide

C16H21N5O2 — CID 71872486

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(Cc1noc(C)n1)C1CCN(Cc2ccccn2)C1
InChIInChI=1S/C16H21N5O2/c1-12-18-16(19-23-12)11-21(13(2)22)15-6-8-20(10-15)9-14-5-3-4-7-17-14/h3-5,7,15H,6,8-11H2,1-2H3
InChIKeyUVEQOIKRISJEPN-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.40
Rot. Bonds5

About N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide (PubChem CID 71872486) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide
PubChem CID71872486
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(Cc1noc(C)n1)C1CCN(Cc2ccccn2)C1
InChIInChI=1S/C16H21N5O2/c1-12-18-16(19-23-12)11-21(13(2)22)15-6-8-20(10-15)9-14-5-3-4-7-17-14/h3-5,7,15H,6,8-11H2,1-2H3
InChIKeyUVEQOIKRISJEPN-UHFFFAOYSA-N
XLogP1.40
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-Cyclobutyl-1,2,4-oxadiazol-3-yl)pyridine
CID 2742571
2-(2-{1-[(3-Benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-piperidinyl}ethyl)pyridine
CID 16189946
5-Propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 662473
5-Methyl-3-(pyridin-2-yl)-1,2,4-oxadiazole
CID 268849
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(5-ethylpyridin-2-yl)methyl]-N-methylmethanamine
CID 16188589
(2S)-2-(methylamino)-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-2-yl]propanamide
CID 145987993
US11066396, Example 358
CID 132257988
US11066396, Example 403
CID 132258393
US11066396, Example 396
CID 132258394
US11066396, Example 435
CID 132258451
US11066396, Example 455
CID 132258510
US11066396, Example 390
CID 132258609

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide (CID 71872486) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide is CC(=O)N(Cc1noc(C)n1)C1CCN(Cc2ccccn2)C1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is UVEQOIKRISJEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-12-18-16(19-23-12)11-21(13(2)22)15-6-8-20(10-15)9-14-5-3-4-7-17-14/h3-5,7,15H,6,8-11H2,1-2H3.
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 315.38 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 71872486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).