5-methoxy-2-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyran-4-one

C19H19N3O4 — CID 70764552

IUPAC5-methoxy-2-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyran-4-one
SMILESCOc1coc(CN2CCCC2c2nc(-c3ccccc3)no2)cc1=O
InChIInChI=1S/C19H19N3O4/c1-24-17-12-25-14(10-16(17)23)11-22-9-5-8-15(22)19-20-18(21-26-19)13-6-3-2-4-7-13/h2-4,6-7,10,12,15H,5,8-9,11H2,1H3
InChIKeyNXDQVISZGGHUTB-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.04
Rot. Bonds5

About 5-methoxy-2-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyran-4-one

5-methoxy-2-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyran-4-one (PubChem CID 70764552) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 5-methoxy-2-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyran-4-one.

Molecular Properties

Compound Name5-methoxy-2-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyran-4-one
PubChem CID70764552
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name5-methoxy-2-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyran-4-one
SMILESCOc1coc(CN2CCCC2c2nc(-c3ccccc3)no2)cc1=O
InChIInChI=1S/C19H19N3O4/c1-24-17-12-25-14(10-16(17)23)11-22-9-5-8-15(22)19-20-18(21-26-19)13-6-3-2-4-7-13/h2-4,6-7,10,12,15H,5,8-9,11H2,1H3
InChIKeyNXDQVISZGGHUTB-UHFFFAOYSA-N
XLogP3.04
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-methoxy-2-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyran-4-one with MolForge

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-1-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 91916617
2-(3,4-dimethoxyphenyl)-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 125125950
5-[(2R)-1-benzylpyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95147378
5-[[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 51934740
5-[[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 51934742
5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
CID 75131386
5-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 8856027
5-methoxy-2-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyran-4-one
CID 97201209
[4-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 120892545
(4-methoxyphenyl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 813074
methyl 2-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]amino]acetate
CID 70718409
2-[3-[[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol
CID 95719382

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyran-4-one?
The IUPAC name of 5-methoxy-2-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyran-4-one (CID 70764552) is 5-methoxy-2-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyran-4-one.
What is the SMILES notation for 5-methoxy-2-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyran-4-one?
The canonical SMILES for 5-methoxy-2-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyran-4-one is COc1coc(CN2CCCC2c2nc(-c3ccccc3)no2)cc1=O.
What is the InChIKey of 5-methoxy-2-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyran-4-one?
The InChIKey is NXDQVISZGGHUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-24-17-12-25-14(10-16(17)23)11-22-9-5-8-15(22)19-20-18(21-26-19)13-6-3-2-4-7-13/h2-4,6-7,10,12,15H,5,8-9,11H2,1H3.
What are the key properties of 5-methoxy-2-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyran-4-one?
5-methoxy-2-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyran-4-one has a molecular weight of 353.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyran-4-one is sourced from PubChem (CID 70764552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).