4-(2-methoxyphenyl)-2-pyridin-2-yl-1,3,4-oxadiazin-5-one

C15H13N3O3 — CID 22632748

IUPAC4-(2-methoxyphenyl)-2-pyridin-2-yl-1,3,4-oxadiazin-5-one
SMILESCOc1ccccc1N1N=C(c2ccccn2)OCC1=O
InChIInChI=1S/C15H13N3O3/c1-20-13-8-3-2-7-12(13)18-14(19)10-21-15(17-18)11-6-4-5-9-16-11/h2-9H,10H2,1H3
InChIKeyYUZRHNMBLOCOTO-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.82
Rot. Bonds3

About 4-(2-methoxyphenyl)-2-pyridin-2-yl-1,3,4-oxadiazin-5-one

4-(2-methoxyphenyl)-2-pyridin-2-yl-1,3,4-oxadiazin-5-one (PubChem CID 22632748) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-2-pyridin-2-yl-1,3,4-oxadiazin-5-one.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-2-pyridin-2-yl-1,3,4-oxadiazin-5-one
PubChem CID22632748
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name4-(2-methoxyphenyl)-2-pyridin-2-yl-1,3,4-oxadiazin-5-one
SMILESCOc1ccccc1N1N=C(c2ccccn2)OCC1=O
InChIInChI=1S/C15H13N3O3/c1-20-13-8-3-2-7-12(13)18-14(19)10-21-15(17-18)11-6-4-5-9-16-11/h2-9H,10H2,1H3
InChIKeyYUZRHNMBLOCOTO-UHFFFAOYSA-N
XLogP1.82
TPSA64.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 162242296
4-hydroxy-1-(2-methoxyphenyl)-3-(2-methylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
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(4S)-1-(5-chloro-2-methoxyphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 42585888
5-methoxy-3-(2-methoxyphenyl)-1,3-diazinane-2,4-dione
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2-(2-fluoro-6-methoxyphenyl)pyridine
CID 66942163
7-chloro-4-(2-methoxyphenyl)-5H-1,4-benzoxazepin-3-one
CID 53152730
2-methyl-5-pyridin-2-yl-4H-pyrazol-3-one
CID 114763827
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-2-pyridin-2-yl-1,3,4-oxadiazin-5-one?
The IUPAC name of 4-(2-methoxyphenyl)-2-pyridin-2-yl-1,3,4-oxadiazin-5-one (CID 22632748) is 4-(2-methoxyphenyl)-2-pyridin-2-yl-1,3,4-oxadiazin-5-one.
What is the SMILES notation for 4-(2-methoxyphenyl)-2-pyridin-2-yl-1,3,4-oxadiazin-5-one?
The canonical SMILES for 4-(2-methoxyphenyl)-2-pyridin-2-yl-1,3,4-oxadiazin-5-one is COc1ccccc1N1N=C(c2ccccn2)OCC1=O.
What is the InChIKey of 4-(2-methoxyphenyl)-2-pyridin-2-yl-1,3,4-oxadiazin-5-one?
The InChIKey is YUZRHNMBLOCOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-20-13-8-3-2-7-12(13)18-14(19)10-21-15(17-18)11-6-4-5-9-16-11/h2-9H,10H2,1H3.
What are the key properties of 4-(2-methoxyphenyl)-2-pyridin-2-yl-1,3,4-oxadiazin-5-one?
4-(2-methoxyphenyl)-2-pyridin-2-yl-1,3,4-oxadiazin-5-one has a molecular weight of 283.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-2-pyridin-2-yl-1,3,4-oxadiazin-5-one is sourced from PubChem (CID 22632748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).