(6-chloropyrazin-2-yl)-(1,4-oxazepan-4-yl)methanone

C10H12ClN3O2 — CID 106551253

IUPAC(6-chloropyrazin-2-yl)-(1,4-oxazepan-4-yl)methanone
SMILESO=C(c1cncc(Cl)n1)N1CCCOCC1
InChIInChI=1S/C10H12ClN3O2/c11-9-7-12-6-8(13-9)10(15)14-2-1-4-16-5-3-14/h6-7H,1-5H2
InChIKeyUCMNJURTEPJMCD-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.99
Rot. Bonds1

About (6-chloropyrazin-2-yl)-(1,4-oxazepan-4-yl)methanone

(6-chloropyrazin-2-yl)-(1,4-oxazepan-4-yl)methanone (PubChem CID 106551253) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is (6-chloropyrazin-2-yl)-(1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name(6-chloropyrazin-2-yl)-(1,4-oxazepan-4-yl)methanone
PubChem CID106551253
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name(6-chloropyrazin-2-yl)-(1,4-oxazepan-4-yl)methanone
SMILESO=C(c1cncc(Cl)n1)N1CCCOCC1
InChIInChI=1S/C10H12ClN3O2/c11-9-7-12-6-8(13-9)10(15)14-2-1-4-16-5-3-14/h6-7H,1-5H2
InChIKeyUCMNJURTEPJMCD-UHFFFAOYSA-N
XLogP0.99
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(6-chloropyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 103186798
(6-chloropyridazin-3-yl)-(1,4-oxazepan-4-yl)methanone
CID 62974873
(6-chloropyrazin-2-yl)-thiomorpholin-4-ylmethanone
CID 103187110
(6-chloropyrazin-2-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103337443
(6-chloropyrazin-2-yl)-piperazin-1-ylmethanone;hydrochloride
CID 118279345
(4-chloro-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 81226471
(2,5-dichloro-4-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 114918455
(6-chloropyrazin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 106550918
(6-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 103186815
(6-chloropyrazin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 106550933
(6-chloropyrazin-2-yl)-(4-ethylpiperidin-1-yl)methanone
CID 106551174
(6-chloropyrazin-2-yl)-(3,3-difluoroazetidin-1-yl)methanone
CID 146001430

Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazin-2-yl)-(1,4-oxazepan-4-yl)methanone?
The IUPAC name of (6-chloropyrazin-2-yl)-(1,4-oxazepan-4-yl)methanone (CID 106551253) is (6-chloropyrazin-2-yl)-(1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for (6-chloropyrazin-2-yl)-(1,4-oxazepan-4-yl)methanone?
The canonical SMILES for (6-chloropyrazin-2-yl)-(1,4-oxazepan-4-yl)methanone is O=C(c1cncc(Cl)n1)N1CCCOCC1.
What is the InChIKey of (6-chloropyrazin-2-yl)-(1,4-oxazepan-4-yl)methanone?
The InChIKey is UCMNJURTEPJMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c11-9-7-12-6-8(13-9)10(15)14-2-1-4-16-5-3-14/h6-7H,1-5H2.
What are the key properties of (6-chloropyrazin-2-yl)-(1,4-oxazepan-4-yl)methanone?
(6-chloropyrazin-2-yl)-(1,4-oxazepan-4-yl)methanone has a molecular weight of 241.68 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazin-2-yl)-(1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 106551253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).