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

C11H19N3O2 — CID 114827216

IUPACN-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnc(C2COC(C)C2)o1
InChIInChI=1S/C11H19N3O2/c1-7(2)12-5-10-13-14-11(16-10)9-4-8(3)15-6-9/h7-9,12H,4-6H2,1-3H3
InChIKeyRWHZLVWGVJHXAK-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.46
Rot. Bonds4

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

N-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (PubChem CID 114827216) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
PubChem CID114827216
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnc(C2COC(C)C2)o1
InChIInChI=1S/C11H19N3O2/c1-7(2)12-5-10-13-14-11(16-10)9-4-8(3)15-6-9/h7-9,12H,4-6H2,1-3H3
InChIKeyRWHZLVWGVJHXAK-UHFFFAOYSA-N
XLogP1.46
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 114827218
N-[[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 107183179
2-bromo-5-(5-methyloxolan-3-yl)-1,3,4-oxadiazole
CID 114824090
N-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62137759
N-methyl-N-(3-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970227
N-[[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 103166366
3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62138936
N-[2-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 55151254
N-[[5-(2-cyclopentylethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62137045
N-[[5-(2,3,5-trimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 106965442
N-(1-cyclopentylethyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106961636
N-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 62588537

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (CID 114827216) is N-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is CC(C)NCc1nnc(C2COC(C)C2)o1.
What is the InChIKey of N-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The InChIKey is RWHZLVWGVJHXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7(2)12-5-10-13-14-11(16-10)9-4-8(3)15-6-9/h7-9,12H,4-6H2,1-3H3.
What are the key properties of N-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
N-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine has a molecular weight of 225.29 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 114827216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).