3,4-dimethyl-5-propan-2-yl-1,2,4-oxadiazolidine

C7H16N2O — CID 91576126

IUPAC3,4-dimethyl-5-propan-2-yl-1,2,4-oxadiazolidine
SMILESCC(C)C1ONC(C)N1C
InChIInChI=1S/C7H16N2O/c1-5(2)7-9(4)6(3)8-10-7/h5-8H,1-4H3
InChIKeyBJTGFNQGCQHVKJ-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.78
Rot. Bonds1

About 3,4-dimethyl-5-propan-2-yl-1,2,4-oxadiazolidine

3,4-dimethyl-5-propan-2-yl-1,2,4-oxadiazolidine (PubChem CID 91576126) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 3,4-dimethyl-5-propan-2-yl-1,2,4-oxadiazolidine.

Molecular Properties

Compound Name3,4-dimethyl-5-propan-2-yl-1,2,4-oxadiazolidine
PubChem CID91576126
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name3,4-dimethyl-5-propan-2-yl-1,2,4-oxadiazolidine
SMILESCC(C)C1ONC(C)N1C
InChIInChI=1S/C7H16N2O/c1-5(2)7-9(4)6(3)8-10-7/h5-8H,1-4H3
InChIKeyBJTGFNQGCQHVKJ-UHFFFAOYSA-N
XLogP0.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 175469364
(3R)-3-methyloxaziridine
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3-methyl-2-propan-2-yl-1,3-oxazolidine
CID 3039948
(4R)-4-methyl-2,3-di(propan-2-yl)-1,3-oxazolidine
CID 134572943
(2R)-1,2,3-trimethylaziridine
CID 154470039
(3R,5S)-3,5-dimethyl-1-(4-methylpentyl)piperazine
CID 145194084
3-methyl-1-(5-methylhexyl)-1,4-diazepane
CID 115327095
1,2,3,4,5,6,7,8,9,10,11,12-dodecamethyl-1,4,7,10-tetrazacyclododecane
CID 58816940
2,3-dimethyl-1-(3-methylbutyl)aziridine
CID 130453016
3-methyl-1,5-bis(3-methylbutyl)piperazine
CID 156530920
5-(3-bromophenyl)-4-methyl-3-propan-2-yl-1,2,4-oxadiazolidine
CID 167091870

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-propan-2-yl-1,2,4-oxadiazolidine?
The IUPAC name of 3,4-dimethyl-5-propan-2-yl-1,2,4-oxadiazolidine (CID 91576126) is 3,4-dimethyl-5-propan-2-yl-1,2,4-oxadiazolidine.
What is the SMILES notation for 3,4-dimethyl-5-propan-2-yl-1,2,4-oxadiazolidine?
The canonical SMILES for 3,4-dimethyl-5-propan-2-yl-1,2,4-oxadiazolidine is CC(C)C1ONC(C)N1C.
What is the InChIKey of 3,4-dimethyl-5-propan-2-yl-1,2,4-oxadiazolidine?
The InChIKey is BJTGFNQGCQHVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-5(2)7-9(4)6(3)8-10-7/h5-8H,1-4H3.
What are the key properties of 3,4-dimethyl-5-propan-2-yl-1,2,4-oxadiazolidine?
3,4-dimethyl-5-propan-2-yl-1,2,4-oxadiazolidine has a molecular weight of 144.22 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-propan-2-yl-1,2,4-oxadiazolidine is sourced from PubChem (CID 91576126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).