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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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).