[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone

C14H16N4O3 — CID 110197197

IUPAC[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESCOCc1nc(C2CCN(C(=O)c3ccccn3)C2)no1
InChIInChI=1S/C14H16N4O3/c1-20-9-12-16-13(17-21-12)10-5-7-18(8-10)14(19)11-4-2-3-6-15-11/h2-4,6,10H,5,7-9H2,1H3
InChIKeyBZTLJYAIZAVQNK-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.24
Rot. Bonds4

About [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone

[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 110197197) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
PubChem CID110197197
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESCOCc1nc(C2CCN(C(=O)c3ccccn3)C2)no1
InChIInChI=1S/C14H16N4O3/c1-20-9-12-16-13(17-21-12)10-5-7-18(8-10)14(19)11-4-2-3-6-15-11/h2-4,6,10H,5,7-9H2,1H3
InChIKeyBZTLJYAIZAVQNK-UHFFFAOYSA-N
XLogP1.24
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 129416738
[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 110224443
1H-indol-4-yl-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 91920631
1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
CID 91907841
[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 91908131
[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 91918423
3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 91918458
(3,5-dimethoxyphenyl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 91918447
(2,4-dimethoxyphenyl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 91918435
pyridin-2-yl-[(3R)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 92577676
[3-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 75131651
[3-(furan-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 110667356

Frequently Asked Questions

What is the IUPAC name of [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone (CID 110197197) is [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone is COCc1nc(C2CCN(C(=O)c3ccccn3)C2)no1.
What is the InChIKey of [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is BZTLJYAIZAVQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-20-9-12-16-13(17-21-12)10-5-7-18(8-10)14(19)11-4-2-3-6-15-11/h2-4,6,10H,5,7-9H2,1H3.
What are the key properties of [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 288.31 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 110197197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).