(5-ethoxypyrazin-2-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone

C13H19N3O3 — CID 126781042

IUPAC(5-ethoxypyrazin-2-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCCOc1cnc(C(=O)N2CCCOC(C)C2)cn1
InChIInChI=1S/C13H19N3O3/c1-3-18-12-8-14-11(7-15-12)13(17)16-5-4-6-19-10(2)9-16/h7-8,10H,3-6,9H2,1-2H3
InChIKeyUUVNRVGNSGDCJX-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.13
Rot. Bonds3

About (5-ethoxypyrazin-2-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone

(5-ethoxypyrazin-2-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone (PubChem CID 126781042) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is (5-ethoxypyrazin-2-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name(5-ethoxypyrazin-2-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
PubChem CID126781042
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name(5-ethoxypyrazin-2-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCCOc1cnc(C(=O)N2CCCOC(C)C2)cn1
InChIInChI=1S/C13H19N3O3/c1-3-18-12-8-14-11(7-15-12)13(17)16-5-4-6-19-10(2)9-16/h7-8,10H,3-6,9H2,1-2H3
InChIKeyUUVNRVGNSGDCJX-UHFFFAOYSA-N
XLogP1.13
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(ethylamino)-2-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 104641208
(6-chloropyridazin-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 55152774
(5-ethoxypyrazin-2-yl)-(3,4,7,8,9,10-hexahydro-1H-pyrazino[1,2-b]indazol-2-yl)methanone
CID 166358412
(6-amino-2-pyridinyl)-[(2S)-2-methyl-1,4-oxazepan-4-yl]methanone
CID 94908396
2-[4-(6-ethoxypyridine-3-carbonyl)morpholin-2-yl]acetic acid
CID 119248952
(2-methylmorpholin-4-yl)-[5-(propylamino)-2-pyridinyl]methanone
CID 104639909
ethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
CID 81345143
5-ethoxypyrazine-2-carbonyl chloride
CID 45081638
(2,6-dihydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 103890430
[3-(ethylamino)-4-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 105069932
(2-amino-5-bromo-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 55141157
2-methyl-1,4-oxazepane-4-carboxamide
CID 62973061

Frequently Asked Questions

What is the IUPAC name of (5-ethoxypyrazin-2-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The IUPAC name of (5-ethoxypyrazin-2-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone (CID 126781042) is (5-ethoxypyrazin-2-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for (5-ethoxypyrazin-2-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The canonical SMILES for (5-ethoxypyrazin-2-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone is CCOc1cnc(C(=O)N2CCCOC(C)C2)cn1.
What is the InChIKey of (5-ethoxypyrazin-2-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The InChIKey is UUVNRVGNSGDCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-18-12-8-14-11(7-15-12)13(17)16-5-4-6-19-10(2)9-16/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of (5-ethoxypyrazin-2-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
(5-ethoxypyrazin-2-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone has a molecular weight of 265.31 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxypyrazin-2-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 126781042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).