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

C10H19N3O2 — CID 112603783

IUPACN-[[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1noc(COC(C)C)n1
InChIInChI=1S/C10H19N3O2/c1-7(2)11-5-9-12-10(15-13-9)6-14-8(3)4/h7-8,11H,5-6H2,1-4H3
InChIKeyLDLCYRXWYLXRHW-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.49
Rot. Bonds6

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

N-[[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine (PubChem CID 112603783) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
PubChem CID112603783
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN-[[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1noc(COC(C)C)n1
InChIInChI=1S/C10H19N3O2/c1-7(2)11-5-9-12-10(15-13-9)6-14-8(3)4/h7-8,11H,5-6H2,1-4H3
InChIKeyLDLCYRXWYLXRHW-UHFFFAOYSA-N
XLogP1.49
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 62341796
N-[[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 63891054
N-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 103472697
N-[[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 62342168
N-[[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 79205518
1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 112603748
N-[[5-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 62538490
(2R)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutan-2-amine
CID 97184939
N-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 103473078
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine
CID 62343969
N-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 66478393
N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 60835612

Frequently Asked Questions

What is the IUPAC name of N-[[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine (CID 112603783) is N-[[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine is CC(C)NCc1noc(COC(C)C)n1.
What is the InChIKey of N-[[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
The InChIKey is LDLCYRXWYLXRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-7(2)11-5-9-12-10(15-13-9)6-14-8(3)4/h7-8,11H,5-6H2,1-4H3.
What are the key properties of N-[[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
N-[[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine has a molecular weight of 213.28 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 112603783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).