4-[2-(azetidin-3-yl)ethyl]-1,4-oxazepane

C10H20N2O — CID 116679964

IUPAC4-[2-(azetidin-3-yl)ethyl]-1,4-oxazepane
SMILESC1COCCN(CCC2CNC2)C1
InChIInChI=1S/C10H20N2O/c1-3-12(5-7-13-6-1)4-2-10-8-11-9-10/h10-11H,1-9H2
InChIKeyQZVDCLOMDNTPAG-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.32
Rot. Bonds3

About 4-[2-(azetidin-3-yl)ethyl]-1,4-oxazepane

4-[2-(azetidin-3-yl)ethyl]-1,4-oxazepane (PubChem CID 116679964) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-[2-(azetidin-3-yl)ethyl]-1,4-oxazepane.

Molecular Properties

Compound Name4-[2-(azetidin-3-yl)ethyl]-1,4-oxazepane
PubChem CID116679964
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name4-[2-(azetidin-3-yl)ethyl]-1,4-oxazepane
SMILESC1COCCN(CCC2CNC2)C1
InChIInChI=1S/C10H20N2O/c1-3-12(5-7-13-6-1)4-2-10-8-11-9-10/h10-11H,1-9H2
InChIKeyQZVDCLOMDNTPAG-UHFFFAOYSA-N
XLogP0.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azetidin-3-ylmethyl)morpholine
CID 66596271
1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-amine
CID 79328295
[3-methyl-6-(2-morpholin-4-ylethyl)azepan-4-yl]methanol
CID 70473628
1-[2-(azetidin-3-yl)ethyl]-4-methylazepane
CID 116680054
4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylmorpholine
CID 116679454
4-(2-thiomorpholin-3-ylethyl)-1,4-oxazepane
CID 66419967
[1-[2-(azetidin-3-yl)ethyl]piperidin-4-yl]methanol
CID 107391013
5-[2-(azetidin-3-yl)ethyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 145259565
3-(1,4-oxazepan-4-yl)propan-1-amine
CID 59833420
methanamine;4-propyl-1,4-oxazepane
CID 169188972
4-propan-2-yl-9-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-oxa-4,9-diazacycloundecane
CID 155184385
1-(azetidin-3-ylmethyl)-3-(2-morpholin-4-ylethyl)urea
CID 117235873

Frequently Asked Questions

What is the IUPAC name of 4-[2-(azetidin-3-yl)ethyl]-1,4-oxazepane?
The IUPAC name of 4-[2-(azetidin-3-yl)ethyl]-1,4-oxazepane (CID 116679964) is 4-[2-(azetidin-3-yl)ethyl]-1,4-oxazepane.
What is the SMILES notation for 4-[2-(azetidin-3-yl)ethyl]-1,4-oxazepane?
The canonical SMILES for 4-[2-(azetidin-3-yl)ethyl]-1,4-oxazepane is C1COCCN(CCC2CNC2)C1.
What is the InChIKey of 4-[2-(azetidin-3-yl)ethyl]-1,4-oxazepane?
The InChIKey is QZVDCLOMDNTPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-12(5-7-13-6-1)4-2-10-8-11-9-10/h10-11H,1-9H2.
What are the key properties of 4-[2-(azetidin-3-yl)ethyl]-1,4-oxazepane?
4-[2-(azetidin-3-yl)ethyl]-1,4-oxazepane has a molecular weight of 184.28 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azetidin-3-yl)ethyl]-1,4-oxazepane is sourced from PubChem (CID 116679964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).