[3-(3-ethylphenoxy)azetidin-1-yl]-(5-methylpyrazin-2-yl)methanone

C17H19N3O2 — CID 70730822

IUPAC[3-(3-ethylphenoxy)azetidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCCc1cccc(OC2CN(C(=O)c3cnc(C)cn3)C2)c1
InChIInChI=1S/C17H19N3O2/c1-3-13-5-4-6-14(7-13)22-15-10-20(11-15)17(21)16-9-18-12(2)8-19-16/h4-9,15H,3,10-11H2,1-2H3
InChIKeyKJAZAJPAZNZRLG-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.25
Rot. Bonds4

About [3-(3-ethylphenoxy)azetidin-1-yl]-(5-methylpyrazin-2-yl)methanone

[3-(3-ethylphenoxy)azetidin-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 70730822) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is [3-(3-ethylphenoxy)azetidin-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[3-(3-ethylphenoxy)azetidin-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID70730822
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name[3-(3-ethylphenoxy)azetidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCCc1cccc(OC2CN(C(=O)c3cnc(C)cn3)C2)c1
InChIInChI=1S/C17H19N3O2/c1-3-13-5-4-6-14(7-13)22-15-10-20(11-15)17(21)16-9-18-12(2)8-19-16/h4-9,15H,3,10-11H2,1-2H3
InChIKeyKJAZAJPAZNZRLG-UHFFFAOYSA-N
XLogP2.25
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3-ethylphenoxy)azetidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 74234486
(5-methylpyrazin-2-yl)-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]methanone
CID 163353329
[3-(3-ethylphenoxy)azetidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 72865427
[3-(3-ethylphenoxy)azetidin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 77078846
[3-(3-ethylphenoxy)azetidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 96578519
[3-(3-ethylphenoxy)azetidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 70754674
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(3-methylphenoxy)azetidin-1-yl]methanone
CID 70770628
[4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 84513638
1-[4-(3-ethylphenoxy)piperidin-1-yl]propan-1-one
CID 110603192
[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 110159437
1-[3-(3-ethylphenoxy)azetidin-1-yl]-4-(4-methylpiperazin-1-yl)pentan-1-one
CID 70731356
[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]-pyrazin-2-ylmethanone
CID 122249628

Frequently Asked Questions

What is the IUPAC name of [3-(3-ethylphenoxy)azetidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [3-(3-ethylphenoxy)azetidin-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 70730822) is [3-(3-ethylphenoxy)azetidin-1-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [3-(3-ethylphenoxy)azetidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [3-(3-ethylphenoxy)azetidin-1-yl]-(5-methylpyrazin-2-yl)methanone is CCc1cccc(OC2CN(C(=O)c3cnc(C)cn3)C2)c1.
What is the InChIKey of [3-(3-ethylphenoxy)azetidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is KJAZAJPAZNZRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-3-13-5-4-6-14(7-13)22-15-10-20(11-15)17(21)16-9-18-12(2)8-19-16/h4-9,15H,3,10-11H2,1-2H3.
What are the key properties of [3-(3-ethylphenoxy)azetidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
[3-(3-ethylphenoxy)azetidin-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 297.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethylphenoxy)azetidin-1-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 70730822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).