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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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).