N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpropan-2-amine

C11H21N3O2 — CID 75517932

IUPACN-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpropan-2-amine
SMILESCOCc1noc(CN(C(C)C)C(C)C)n1
InChIInChI=1S/C11H21N3O2/c1-8(2)14(9(3)4)6-11-12-10(7-15-5)13-16-11/h8-9H,6-7H2,1-5H3
InChIKeyOGKCJVIHLLWFQT-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.83
Rot. Bonds6

About N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpropan-2-amine

N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpropan-2-amine (PubChem CID 75517932) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpropan-2-amine
PubChem CID75517932
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpropan-2-amine
SMILESCOCc1noc(CN(C(C)C)C(C)C)n1
InChIInChI=1S/C11H21N3O2/c1-8(2)14(9(3)4)6-11-12-10(7-15-5)13-16-11/h8-9H,6-7H2,1-5H3
InChIKeyOGKCJVIHLLWFQT-UHFFFAOYSA-N
XLogP1.83
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpropan-2-amine (CID 75517932) is N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpropan-2-amine is COCc1noc(CN(C(C)C)C(C)C)n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is OGKCJVIHLLWFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(2)14(9(3)4)6-11-12-10(7-15-5)13-16-11/h8-9H,6-7H2,1-5H3.
What are the key properties of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpropan-2-amine?
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 227.31 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 75517932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).