oxan-4-yl-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

C17H20N4O3 — CID 91905660

IUPACoxan-4-yl-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CCOCC1)N1CCC(c2noc(-c3ccncc3)n2)C1
InChIInChI=1S/C17H20N4O3/c22-17(13-4-9-23-10-5-13)21-8-3-14(11-21)15-19-16(24-20-15)12-1-6-18-7-2-12/h1-2,6-7,13-14H,3-5,8-11H2
InChIKeyZVDIZAFTVLGSBR-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.87
Rot. Bonds3

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

oxan-4-yl-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 91905660) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is oxan-4-yl-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Nameoxan-4-yl-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID91905660
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Nameoxan-4-yl-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CCOCC1)N1CCC(c2noc(-c3ccncc3)n2)C1
InChIInChI=1S/C17H20N4O3/c22-17(13-4-9-23-10-5-13)21-8-3-14(11-21)15-19-16(24-20-15)12-1-6-18-7-2-12/h1-2,6-7,13-14H,3-5,8-11H2
InChIKeyZVDIZAFTVLGSBR-UHFFFAOYSA-N
XLogP1.87
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of oxan-4-yl-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (CID 91905660) is oxan-4-yl-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for oxan-4-yl-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for oxan-4-yl-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is O=C(C1CCOCC1)N1CCC(c2noc(-c3ccncc3)n2)C1.
What is the InChIKey of oxan-4-yl-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is ZVDIZAFTVLGSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-17(13-4-9-23-10-5-13)21-8-3-14(11-21)15-19-16(24-20-15)12-1-6-18-7-2-12/h1-2,6-7,13-14H,3-5,8-11H2.
What are the key properties of oxan-4-yl-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
oxan-4-yl-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 328.37 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91905660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).