2-(azepan-2-yl)-1,3-oxazolidine

C9H18N2O — CID 174654499

IUPAC2-(azepan-2-yl)-1,3-oxazolidine
SMILESC1CCNC(C2NCCO2)CC1
InChIInChI=1S/C9H18N2O/c1-2-4-8(10-5-3-1)9-11-6-7-12-9/h8-11H,1-7H2
InChIKeyDOEICJHCIWWAED-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.46
Rot. Bonds1

About 2-(azepan-2-yl)-1,3-oxazolidine

2-(azepan-2-yl)-1,3-oxazolidine (PubChem CID 174654499) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-(azepan-2-yl)-1,3-oxazolidine.

Molecular Properties

Compound Name2-(azepan-2-yl)-1,3-oxazolidine
PubChem CID174654499
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-(azepan-2-yl)-1,3-oxazolidine
SMILESC1CCNC(C2NCCO2)CC1
InChIInChI=1S/C9H18N2O/c1-2-4-8(10-5-3-1)9-11-6-7-12-9/h8-11H,1-7H2
InChIKeyDOEICJHCIWWAED-UHFFFAOYSA-N
XLogP0.46
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-2-yl-1,3-oxazinane;hydrochloride
CID 117225945
2-cyclohexyl-1,3-oxazolidine
CID 117225833
(4aS,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]oxazine
CID 92720099
2-cycloheptyl-1,3-oxazepane
CID 175475084
2-pyrrolidin-2-ylpiperidine
CID 14810994
2-cyclodecylazecane
CID 126739440
(2S)-2-cyclohexylpiperidine
CID 7016471
4-methyl-2-piperidin-2-yl-1,3-oxazolidine;hydrochloride
CID 117227945
2-cycloheptylpiperidine;hydrochloride
CID 115030388
(5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine
CID 92720077
2-(oxathiiran-3-yl)piperidine
CID 174861042
2-(4-cyclohexylcyclohexyl)piperidine
CID 83404287

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-2-yl)-1,3-oxazolidine?
The IUPAC name of 2-(azepan-2-yl)-1,3-oxazolidine (CID 174654499) is 2-(azepan-2-yl)-1,3-oxazolidine.
What is the SMILES notation for 2-(azepan-2-yl)-1,3-oxazolidine?
The canonical SMILES for 2-(azepan-2-yl)-1,3-oxazolidine is C1CCNC(C2NCCO2)CC1.
What is the InChIKey of 2-(azepan-2-yl)-1,3-oxazolidine?
The InChIKey is DOEICJHCIWWAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-4-8(10-5-3-1)9-11-6-7-12-9/h8-11H,1-7H2.
What are the key properties of 2-(azepan-2-yl)-1,3-oxazolidine?
2-(azepan-2-yl)-1,3-oxazolidine has a molecular weight of 170.26 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-2-yl)-1,3-oxazolidine is sourced from PubChem (CID 174654499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).