N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine

C13H21N3O2 — CID 65159781

IUPACN-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
SMILESCC1OC(C)C(c2nc(CNC3CC3)no2)C1C
InChIInChI=1S/C13H21N3O2/c1-7-8(2)17-9(3)12(7)13-15-11(16-18-13)6-14-10-4-5-10/h7-10,12,14H,4-6H2,1-3H3
InChIKeyUDQAJSKLLUVFFQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.85
Rot. Bonds4

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

N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine (PubChem CID 65159781) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
PubChem CID65159781
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
SMILESCC1OC(C)C(c2nc(CNC3CC3)no2)C1C
InChIInChI=1S/C13H21N3O2/c1-7-8(2)17-9(3)12(7)13-15-11(16-18-13)6-14-10-4-5-10/h7-10,12,14H,4-6H2,1-3H3
InChIKeyUDQAJSKLLUVFFQ-UHFFFAOYSA-N
XLogP1.85
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 65159675
N-[[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 107182943
N-[[5-(1,1-dioxothian-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 113422427
N-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 62342567
N-[(2,4,5-trimethyloxolan-3-yl)methyl]cyclopropanamine
CID 65156408
N-methyl-1-[5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 104879922
N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 60722113
N-methyl-1-[5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 131165617
N-[[5-(3-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 62341400
N-ethyl-4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 55202619
cis-(1R,2S)-2-methyl-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclohexan-1-amine
CID 99716030
N-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 55065529

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine (CID 65159781) is N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine is CC1OC(C)C(c2nc(CNC3CC3)no2)C1C.
What is the InChIKey of N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
The InChIKey is UDQAJSKLLUVFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-7-8(2)17-9(3)12(7)13-15-11(16-18-13)6-14-10-4-5-10/h7-10,12,14H,4-6H2,1-3H3.
What are the key properties of N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine has a molecular weight of 251.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65159781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).