N-[3-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine

C13H21N3O2 — CID 81326950

IUPACN-[3-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
SMILESCC1CCC(c2nnc(CCCNC3CC3)o2)O1
InChIInChI=1S/C13H21N3O2/c1-9-4-7-11(17-9)13-16-15-12(18-13)3-2-8-14-10-5-6-10/h9-11,14H,2-8H2,1H3
InChIKeyZNXZOLLFQSJPHB-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.99
Rot. Bonds6

About N-[3-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine

N-[3-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine (PubChem CID 81326950) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[3-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
PubChem CID81326950
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[3-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
SMILESCC1CCC(c2nnc(CCCNC3CC3)o2)O1
InChIInChI=1S/C13H21N3O2/c1-9-4-7-11(17-9)13-16-15-12(18-13)3-2-8-14-10-5-6-10/h9-11,14H,2-8H2,1H3
InChIKeyZNXZOLLFQSJPHB-UHFFFAOYSA-N
XLogP1.99
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 81327288
2-(3-chloropropyl)-5-(5-methyloxolan-2-yl)-1,3,4-oxadiazole
CID 81330389
2-(2-chloroethyl)-5-(5-methyloxolan-2-yl)-1,3,4-oxadiazole
CID 81330388
N-[3-[5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 107183220
N-[3-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)propyl]cyclopropanamine
CID 62137109
N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 62214456
N-[3-[5-(2,3,3-trimethylbutyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 63834383
N-[3-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 62139311
3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62138936
3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-ethylpropan-1-amine
CID 62136737
3-[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 107183207
N-[3-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]propyl]-N'-cyclohexylpropane-1,3-diamine
CID 135231770

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine (CID 81326950) is N-[3-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine is CC1CCC(c2nnc(CCCNC3CC3)o2)O1.
What is the InChIKey of N-[3-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
The InChIKey is ZNXZOLLFQSJPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-4-7-11(17-9)13-16-15-12(18-13)3-2-8-14-10-5-6-10/h9-11,14H,2-8H2,1H3.
What are the key properties of N-[3-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
N-[3-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine has a molecular weight of 251.33 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine is sourced from PubChem (CID 81326950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).