3,4-di(propan-2-yl)-1,3,4-oxadiazolidine

C8H18N2O — CID 5325302

IUPAC3,4-di(propan-2-yl)-1,3,4-oxadiazolidine
SMILESCC(C)N1COCN1C(C)C
InChIInChI=1S/C8H18N2O/c1-7(2)9-5-11-6-10(9)8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyLBLMFJBYXOUVHC-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.27
Rot. Bonds2

About 3,4-di(propan-2-yl)-1,3,4-oxadiazolidine

3,4-di(propan-2-yl)-1,3,4-oxadiazolidine (PubChem CID 5325302) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 3,4-di(propan-2-yl)-1,3,4-oxadiazolidine.

Molecular Properties

Compound Name3,4-di(propan-2-yl)-1,3,4-oxadiazolidine
PubChem CID5325302
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name3,4-di(propan-2-yl)-1,3,4-oxadiazolidine
SMILESCC(C)N1COCN1C(C)C
InChIInChI=1S/C8H18N2O/c1-7(2)9-5-11-6-10(9)8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyLBLMFJBYXOUVHC-UHFFFAOYSA-N
XLogP1.27
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-di(propan-2-yl)-1,3-oxazolidine
CID 58916313
3,4-di(propan-2-yl)-1,3-oxazinane
CID 146614615
fluoromethane;4-propan-2-ylmorpholine
CID 177187231
3-fluoro-4-propan-2-ylmorpholine
CID 141026156
3,4-diethyl-1,3,4-oxadiazolidine
CID 119097706
6-methyl-3-oxa-1,5-diazabicyclo[3.1.0]hexane
CID 70425904
(3S)-4-propan-2-yl-3-(2,2,2-trifluoroethyl)morpholine
CID 170395552
3,5-dichloro-4-propan-2-ylmorpholine
CID 70207780
8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane
CID 58110399
oxirane;propan-2-amine
CID 163631422
methane;2-methylpropane;oxetane
CID 160642963
methane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane
CID 159337288

Frequently Asked Questions

What is the IUPAC name of 3,4-di(propan-2-yl)-1,3,4-oxadiazolidine?
The IUPAC name of 3,4-di(propan-2-yl)-1,3,4-oxadiazolidine (CID 5325302) is 3,4-di(propan-2-yl)-1,3,4-oxadiazolidine.
What is the SMILES notation for 3,4-di(propan-2-yl)-1,3,4-oxadiazolidine?
The canonical SMILES for 3,4-di(propan-2-yl)-1,3,4-oxadiazolidine is CC(C)N1COCN1C(C)C.
What is the InChIKey of 3,4-di(propan-2-yl)-1,3,4-oxadiazolidine?
The InChIKey is LBLMFJBYXOUVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(2)9-5-11-6-10(9)8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 3,4-di(propan-2-yl)-1,3,4-oxadiazolidine?
3,4-di(propan-2-yl)-1,3,4-oxadiazolidine has a molecular weight of 158.24 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(propan-2-yl)-1,3,4-oxadiazolidine is sourced from PubChem (CID 5325302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).