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

C12H19N3O2 — CID 65159274

IUPACN-[[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESC1COC(CCc2nnc(CNC3CC3)o2)C1
InChIInChI=1S/C12H19N3O2/c1-2-10(16-7-1)5-6-11-14-15-12(17-11)8-13-9-3-4-9/h9-10,13H,1-8H2
InChIKeyGWQVQECRYJVVCZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.43
Rot. Bonds6

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

N-[[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 65159274) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
PubChem CID65159274
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESC1COC(CCc2nnc(CNC3CC3)o2)C1
InChIInChI=1S/C12H19N3O2/c1-2-10(16-7-1)5-6-11-14-15-12(17-11)8-13-9-3-4-9/h9-10,13H,1-8H2
InChIKeyGWQVQECRYJVVCZ-UHFFFAOYSA-N
XLogP1.43
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 65159736
N-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 55039549
N-methyl-3-[5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 63952195
2-iodo-5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazole
CID 114771865
(E)-3-[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 81256992
5-[(cyclopropylamino)methyl]-N-[1-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969066
N-cycloheptyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968561
(E)-3-[5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 81252731
5-[(cyclopropylamino)methyl]-N-(oxan-4-yl)-1,3,4-oxadiazol-2-amine
CID 106969378
N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-2-yl]methyl]cyclopropanamine
CID 65162327
N-[[2-methyl-3-[3-(oxolan-2-yl)propyl]imidazol-4-yl]methyl]cyclopropanamine
CID 65172275
N-[2-(oxan-2-yl)ethyl]cyclopropanamine
CID 62548830

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (CID 65159274) is N-[[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is C1COC(CCc2nnc(CNC3CC3)o2)C1.
What is the InChIKey of N-[[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is GWQVQECRYJVVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-10(16-7-1)5-6-11-14-15-12(17-11)8-13-9-3-4-9/h9-10,13H,1-8H2.
What are the key properties of N-[[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 237.30 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65159274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).