5-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]-1H-pyrazin-2-one

C15H15N3O4 — CID 86285870

IUPAC5-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]-1H-pyrazin-2-one
SMILESCOc1ccccc1OC1CN(C(=O)c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C15H15N3O4/c1-21-12-4-2-3-5-13(12)22-10-8-18(9-10)15(20)11-6-17-14(19)7-16-11/h2-7,10H,8-9H2,1H3,(H,17,19)
InChIKeyOBOOEEBHCNTQBQ-UHFFFAOYSA-N
MW301.30 g/mol
LogP0.68
Rot. Bonds4

About 5-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]-1H-pyrazin-2-one

5-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]-1H-pyrazin-2-one (PubChem CID 86285870) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 5-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]-1H-pyrazin-2-one
PubChem CID86285870
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name5-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]-1H-pyrazin-2-one
SMILESCOc1ccccc1OC1CN(C(=O)c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C15H15N3O4/c1-21-12-4-2-3-5-13(12)22-10-8-18(9-10)15(20)11-6-17-14(19)7-16-11/h2-7,10H,8-9H2,1H3,(H,17,19)
InChIKeyOBOOEEBHCNTQBQ-UHFFFAOYSA-N
XLogP0.68
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-4-(2,3-dimethoxyphenyl)-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 70755018
[3-(2-methoxyphenoxy)azetidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 70785183
(5-chloro-2-methoxyphenyl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone
CID 70713898
[3-(2-methoxyphenoxy)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
CID 70716899
[3-(2-methoxyphenoxy)azetidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 96581278
5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 70778695
5-(4-methylpiperazine-1-carbonyl)-1H-pyrazin-2-one
CID 110476630
2-[1-(6-oxo-1H-pyrazine-3-carbonyl)azetidin-3-yl]acetic acid
CID 64605803
(2,4-dimethylquinolin-7-yl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone
CID 70774437
5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-1H-pyrazin-2-one
CID 134711873
(4S)-4-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-1-methylimidazolidin-2-one
CID 95872118
5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 166281480

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]-1H-pyrazin-2-one?
The IUPAC name of 5-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]-1H-pyrazin-2-one (CID 86285870) is 5-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]-1H-pyrazin-2-one.
What is the SMILES notation for 5-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]-1H-pyrazin-2-one?
The canonical SMILES for 5-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]-1H-pyrazin-2-one is COc1ccccc1OC1CN(C(=O)c2c[nH]c(=O)cn2)C1.
What is the InChIKey of 5-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]-1H-pyrazin-2-one?
The InChIKey is OBOOEEBHCNTQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-21-12-4-2-3-5-13(12)22-10-8-18(9-10)15(20)11-6-17-14(19)7-16-11/h2-7,10H,8-9H2,1H3,(H,17,19).
What are the key properties of 5-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]-1H-pyrazin-2-one?
5-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]-1H-pyrazin-2-one has a molecular weight of 301.30 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]-1H-pyrazin-2-one is sourced from PubChem (CID 86285870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).