(2-methyl-1-benzofuran-5-yl)-(2-pyrazin-2-ylmorpholin-4-yl)methanone

C18H17N3O3 — CID 127246298

IUPAC(2-methyl-1-benzofuran-5-yl)-(2-pyrazin-2-ylmorpholin-4-yl)methanone
SMILESCc1cc2cc(C(=O)N3CCOC(c4cnccn4)C3)ccc2o1
InChIInChI=1S/C18H17N3O3/c1-12-8-14-9-13(2-3-16(14)24-12)18(22)21-6-7-23-17(11-21)15-10-19-4-5-20-15/h2-5,8-10,17H,6-7,11H2,1H3
InChIKeyXARWBAKFNDZVIL-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.74
Rot. Bonds2

About (2-methyl-1-benzofuran-5-yl)-(2-pyrazin-2-ylmorpholin-4-yl)methanone

(2-methyl-1-benzofuran-5-yl)-(2-pyrazin-2-ylmorpholin-4-yl)methanone (PubChem CID 127246298) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is (2-methyl-1-benzofuran-5-yl)-(2-pyrazin-2-ylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-methyl-1-benzofuran-5-yl)-(2-pyrazin-2-ylmorpholin-4-yl)methanone
PubChem CID127246298
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name(2-methyl-1-benzofuran-5-yl)-(2-pyrazin-2-ylmorpholin-4-yl)methanone
SMILESCc1cc2cc(C(=O)N3CCOC(c4cnccn4)C3)ccc2o1
InChIInChI=1S/C18H17N3O3/c1-12-8-14-9-13(2-3-16(14)24-12)18(22)21-6-7-23-17(11-21)15-10-19-4-5-20-15/h2-5,8-10,17H,6-7,11H2,1H3
InChIKeyXARWBAKFNDZVIL-UHFFFAOYSA-N
XLogP2.74
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxyphenyl)-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124969089
(2-pyrazin-2-ylmorpholin-4-yl)-quinolin-6-ylmethanone
CID 110103222
1,3-benzodioxol-5-yl-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 125012365
(6-hydroxy-1,4-oxazepan-4-yl)-(2-methyl-1-benzofuran-5-yl)methanone
CID 74231738
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124973919
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124973918
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124982846
(2,6-difluorophenyl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124986914
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 110259339
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 95845102
(2-methoxyphenyl)-(2-pyrazin-2-ylmorpholin-4-yl)methanone
CID 127246249
(5-tert-butyl-1H-pyrazol-3-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124939617

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-benzofuran-5-yl)-(2-pyrazin-2-ylmorpholin-4-yl)methanone?
The IUPAC name of (2-methyl-1-benzofuran-5-yl)-(2-pyrazin-2-ylmorpholin-4-yl)methanone (CID 127246298) is (2-methyl-1-benzofuran-5-yl)-(2-pyrazin-2-ylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-methyl-1-benzofuran-5-yl)-(2-pyrazin-2-ylmorpholin-4-yl)methanone?
The canonical SMILES for (2-methyl-1-benzofuran-5-yl)-(2-pyrazin-2-ylmorpholin-4-yl)methanone is Cc1cc2cc(C(=O)N3CCOC(c4cnccn4)C3)ccc2o1.
What is the InChIKey of (2-methyl-1-benzofuran-5-yl)-(2-pyrazin-2-ylmorpholin-4-yl)methanone?
The InChIKey is XARWBAKFNDZVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-8-14-9-13(2-3-16(14)24-12)18(22)21-6-7-23-17(11-21)15-10-19-4-5-20-15/h2-5,8-10,17H,6-7,11H2,1H3.
What are the key properties of (2-methyl-1-benzofuran-5-yl)-(2-pyrazin-2-ylmorpholin-4-yl)methanone?
(2-methyl-1-benzofuran-5-yl)-(2-pyrazin-2-ylmorpholin-4-yl)methanone has a molecular weight of 323.35 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-benzofuran-5-yl)-(2-pyrazin-2-ylmorpholin-4-yl)methanone is sourced from PubChem (CID 127246298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).