4-cycloheptyl-6-[(5-methylpyrazin-2-yl)methyl]-1,4-oxazepane

C18H29N3O — CID 110272080

IUPAC4-cycloheptyl-6-[(5-methylpyrazin-2-yl)methyl]-1,4-oxazepane
SMILESCc1cnc(CC2COCCN(C3CCCCCC3)C2)cn1
InChIInChI=1S/C18H29N3O/c1-15-11-20-17(12-19-15)10-16-13-21(8-9-22-14-16)18-6-4-2-3-5-7-18/h11-12,16,18H,2-10,13-14H2,1H3
InChIKeyOEIAJDXWVKOBTC-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.00
Rot. Bonds3

About 4-cycloheptyl-6-[(5-methylpyrazin-2-yl)methyl]-1,4-oxazepane

4-cycloheptyl-6-[(5-methylpyrazin-2-yl)methyl]-1,4-oxazepane (PubChem CID 110272080) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-cycloheptyl-6-[(5-methylpyrazin-2-yl)methyl]-1,4-oxazepane.

Molecular Properties

Compound Name4-cycloheptyl-6-[(5-methylpyrazin-2-yl)methyl]-1,4-oxazepane
PubChem CID110272080
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name4-cycloheptyl-6-[(5-methylpyrazin-2-yl)methyl]-1,4-oxazepane
SMILESCc1cnc(CC2COCCN(C3CCCCCC3)C2)cn1
InChIInChI=1S/C18H29N3O/c1-15-11-20-17(12-19-15)10-16-13-21(8-9-22-14-16)18-6-4-2-3-5-7-18/h11-12,16,18H,2-10,13-14H2,1H3
InChIKeyOEIAJDXWVKOBTC-UHFFFAOYSA-N
XLogP3.00
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[(6R)-4-cyclohexyl-1,4-oxazepan-6-yl]methyl]-N-methylpyrimidin-4-amine
CID 124978384
(6R)-4-[(1-methylimidazol-2-yl)methyl]-6-[(5-methylpyrazin-2-yl)methyl]-1,4-oxazepane
CID 95848013
1-[(6S)-6-[(5-methylpyrazin-2-yl)methyl]-1,4-oxazepan-4-yl]-2-phenylethanone
CID 95848064
(6S)-4-(1-ethylpiperidin-4-yl)-6-(pyrimidin-4-ylmethyl)-1,4-oxazepane
CID 125016311
N,N-dimethyl-5-[(4-methylsulfonyl-1,4-oxazepan-6-yl)methyl]pyrazin-2-amine
CID 110269110
(3S)-N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 97193281
(2R)-4-(cyclohexylmethyl)-2-(5-methylpyrazin-2-yl)morpholine
CID 124965040
6-(1-benzofuran-4-ylmethyl)-4-[(5-methylpyrazin-2-yl)methyl]-1,4-oxazepane
CID 110132099
cyclohexyl-[6-(pyridin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 155983969
N,N-dimethyl-5-[[4-[(3-methylimidazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazin-2-amine
CID 110272077
2-methyl-5-[[(3S)-pyrrolidin-3-yl]methyl]pyrazine
CID 157065422
6-[(2R)-4-cyclohexylmorpholin-2-yl]-2-methylpyrimidin-4-amine
CID 95847530

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-6-[(5-methylpyrazin-2-yl)methyl]-1,4-oxazepane?
The IUPAC name of 4-cycloheptyl-6-[(5-methylpyrazin-2-yl)methyl]-1,4-oxazepane (CID 110272080) is 4-cycloheptyl-6-[(5-methylpyrazin-2-yl)methyl]-1,4-oxazepane.
What is the SMILES notation for 4-cycloheptyl-6-[(5-methylpyrazin-2-yl)methyl]-1,4-oxazepane?
The canonical SMILES for 4-cycloheptyl-6-[(5-methylpyrazin-2-yl)methyl]-1,4-oxazepane is Cc1cnc(CC2COCCN(C3CCCCCC3)C2)cn1.
What is the InChIKey of 4-cycloheptyl-6-[(5-methylpyrazin-2-yl)methyl]-1,4-oxazepane?
The InChIKey is OEIAJDXWVKOBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-15-11-20-17(12-19-15)10-16-13-21(8-9-22-14-16)18-6-4-2-3-5-7-18/h11-12,16,18H,2-10,13-14H2,1H3.
What are the key properties of 4-cycloheptyl-6-[(5-methylpyrazin-2-yl)methyl]-1,4-oxazepane?
4-cycloheptyl-6-[(5-methylpyrazin-2-yl)methyl]-1,4-oxazepane has a molecular weight of 303.45 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-6-[(5-methylpyrazin-2-yl)methyl]-1,4-oxazepane is sourced from PubChem (CID 110272080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).