4-(3-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-oxazepan-5-one

C15H26N2O2 — CID 22984993

IUPAC4-(3-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1COCCN(CC2CC3CCC(C3)C2)C1=O
InChIInChI=1S/C15H26N2O2/c1-16-14-10-19-5-4-17(15(14)18)9-13-7-11-2-3-12(6-11)8-13/h11-14,16H,2-10H2,1H3
InChIKeyYNUGNEFDPUYSEJ-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.26
Rot. Bonds3

About 4-(3-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-oxazepan-5-one

4-(3-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-oxazepan-5-one (PubChem CID 22984993) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-(3-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-oxazepan-5-one.

Molecular Properties

Compound Name4-(3-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
PubChem CID22984993
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name4-(3-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1COCCN(CC2CC3CCC(C3)C2)C1=O
InChIInChI=1S/C15H26N2O2/c1-16-14-10-19-5-4-17(15(14)18)9-13-7-11-2-3-12(6-11)8-13/h11-14,16H,2-10H2,1H3
InChIKeyYNUGNEFDPUYSEJ-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-oxazepan-5-one?
The IUPAC name of 4-(3-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-oxazepan-5-one (CID 22984993) is 4-(3-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-oxazepan-5-one.
What is the SMILES notation for 4-(3-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-oxazepan-5-one?
The canonical SMILES for 4-(3-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-oxazepan-5-one is CNC1COCCN(CC2CC3CCC(C3)C2)C1=O.
What is the InChIKey of 4-(3-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-oxazepan-5-one?
The InChIKey is YNUGNEFDPUYSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-16-14-10-19-5-4-17(15(14)18)9-13-7-11-2-3-12(6-11)8-13/h11-14,16H,2-10H2,1H3.
What are the key properties of 4-(3-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-oxazepan-5-one?
4-(3-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-oxazepan-5-one has a molecular weight of 266.38 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-oxazepan-5-one is sourced from PubChem (CID 22984993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).