2-(oxan-4-ylmethyl)-1,3-oxazolidine

C9H17NO2 — CID 117225640

IUPAC2-(oxan-4-ylmethyl)-1,3-oxazolidine
SMILESC1COC(CC2CCOCC2)N1
InChIInChI=1S/C9H17NO2/c1-4-11-5-2-8(1)7-9-10-3-6-12-9/h8-10H,1-7H2
InChIKeyBZAQWLKYUJZOHU-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.75
Rot. Bonds2

About 2-(oxan-4-ylmethyl)-1,3-oxazolidine

2-(oxan-4-ylmethyl)-1,3-oxazolidine (PubChem CID 117225640) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(oxan-4-ylmethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name2-(oxan-4-ylmethyl)-1,3-oxazolidine
PubChem CID117225640
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(oxan-4-ylmethyl)-1,3-oxazolidine
SMILESC1COC(CC2CCOCC2)N1
InChIInChI=1S/C9H17NO2/c1-4-11-5-2-8(1)7-9-10-3-6-12-9/h8-10H,1-7H2
InChIKeyBZAQWLKYUJZOHU-UHFFFAOYSA-N
XLogP0.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethyl)-1,3-oxazolidine?
The IUPAC name of 2-(oxan-4-ylmethyl)-1,3-oxazolidine (CID 117225640) is 2-(oxan-4-ylmethyl)-1,3-oxazolidine.
What is the SMILES notation for 2-(oxan-4-ylmethyl)-1,3-oxazolidine?
The canonical SMILES for 2-(oxan-4-ylmethyl)-1,3-oxazolidine is C1COC(CC2CCOCC2)N1.
What is the InChIKey of 2-(oxan-4-ylmethyl)-1,3-oxazolidine?
The InChIKey is BZAQWLKYUJZOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-11-5-2-8(1)7-9-10-3-6-12-9/h8-10H,1-7H2.
What are the key properties of 2-(oxan-4-ylmethyl)-1,3-oxazolidine?
2-(oxan-4-ylmethyl)-1,3-oxazolidine has a molecular weight of 171.24 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethyl)-1,3-oxazolidine is sourced from PubChem (CID 117225640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).