4-[(5-chloropyrazin-2-yl)methyl]-1,4-oxazepane

C10H14ClN3O — CID 103054257

IUPAC4-[(5-chloropyrazin-2-yl)methyl]-1,4-oxazepane
SMILESClc1cnc(CN2CCCOCC2)cn1
InChIInChI=1S/C10H14ClN3O/c11-10-7-12-9(6-13-10)8-14-2-1-4-15-5-3-14/h6-7H,1-5,8H2
InChIKeyFEUOETKINMGAED-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.35
Rot. Bonds2

About 4-[(5-chloropyrazin-2-yl)methyl]-1,4-oxazepane

4-[(5-chloropyrazin-2-yl)methyl]-1,4-oxazepane (PubChem CID 103054257) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-[(5-chloropyrazin-2-yl)methyl]-1,4-oxazepane.

Molecular Properties

Compound Name4-[(5-chloropyrazin-2-yl)methyl]-1,4-oxazepane
PubChem CID103054257
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name4-[(5-chloropyrazin-2-yl)methyl]-1,4-oxazepane
SMILESClc1cnc(CN2CCCOCC2)cn1
InChIInChI=1S/C10H14ClN3O/c11-10-7-12-9(6-13-10)8-14-2-1-4-15-5-3-14/h6-7H,1-5,8H2
InChIKeyFEUOETKINMGAED-UHFFFAOYSA-N
XLogP1.35
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,4-oxazepan-4-ylmethyl)pyrazin-2-amine
CID 103056325
2-chloro-5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazine
CID 103054050
4-[(5-tert-butylpyrazin-2-yl)methyl]morpholine
CID 164775880
1-[(5-chloropyrazin-2-yl)methyl]piperidin-3-ol
CID 103054140
2-chloro-5-[(4-ethylpiperidin-1-yl)methyl]pyrazine
CID 103054128
4-[(4-chloro-2-pyridinyl)methyl]morpholine
CID 22025268
2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrazine
CID 103054322
4-[(6-chloropyridazin-3-yl)methyl]morpholine
CID 104513452
4-[[2,3,5,6-tetrachloro-4-(morpholin-4-ylmethyl)phenyl]methyl]morpholine
CID 3043329
5-[(5-chloropyrazin-2-yl)methyl]-3,4-dihydro-2H-1,5-benzoxazepine
CID 103054385
4-[(5-chloropyrazin-2-yl)methyl]-7,7-dimethyl-1,4-thiazepane
CID 107454427
4-[(5-chloropyrazin-2-yl)methyl]piperazin-2-one
CID 103054010

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloropyrazin-2-yl)methyl]-1,4-oxazepane?
The IUPAC name of 4-[(5-chloropyrazin-2-yl)methyl]-1,4-oxazepane (CID 103054257) is 4-[(5-chloropyrazin-2-yl)methyl]-1,4-oxazepane.
What is the SMILES notation for 4-[(5-chloropyrazin-2-yl)methyl]-1,4-oxazepane?
The canonical SMILES for 4-[(5-chloropyrazin-2-yl)methyl]-1,4-oxazepane is Clc1cnc(CN2CCCOCC2)cn1.
What is the InChIKey of 4-[(5-chloropyrazin-2-yl)methyl]-1,4-oxazepane?
The InChIKey is FEUOETKINMGAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c11-10-7-12-9(6-13-10)8-14-2-1-4-15-5-3-14/h6-7H,1-5,8H2.
What are the key properties of 4-[(5-chloropyrazin-2-yl)methyl]-1,4-oxazepane?
4-[(5-chloropyrazin-2-yl)methyl]-1,4-oxazepane has a molecular weight of 227.69 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloropyrazin-2-yl)methyl]-1,4-oxazepane is sourced from PubChem (CID 103054257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).