2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]-1-pyrrolidin-1-ylethanone

C14H16N4O3 — CID 75538384

IUPAC2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(COCc1nc(-c2ccncc2)no1)N1CCCC1
InChIInChI=1S/C14H16N4O3/c19-13(18-7-1-2-8-18)10-20-9-12-16-14(17-21-12)11-3-5-15-6-4-11/h3-6H,1-2,7-10H2
InChIKeyLATFJSBOOSFPJG-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.27
Rot. Bonds5

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

2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 75538384) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]-1-pyrrolidin-1-ylethanone
PubChem CID75538384
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(COCc1nc(-c2ccncc2)no1)N1CCCC1
InChIInChI=1S/C14H16N4O3/c19-13(18-7-1-2-8-18)10-20-9-12-16-14(17-21-12)11-3-5-15-6-4-11/h3-6H,1-2,7-10H2
InChIKeyLATFJSBOOSFPJG-UHFFFAOYSA-N
XLogP1.27
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]-1-pyrrolidin-1-ylethanone (CID 75538384) is 2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]-1-pyrrolidin-1-ylethanone is O=C(COCc1nc(-c2ccncc2)no1)N1CCCC1.
What is the InChIKey of 2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is LATFJSBOOSFPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c19-13(18-7-1-2-8-18)10-20-9-12-16-14(17-21-12)11-3-5-15-6-4-11/h3-6H,1-2,7-10H2.
What are the key properties of 2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]-1-pyrrolidin-1-ylethanone?
2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 288.31 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 75538384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).