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

C12H20N4O3 — CID 106967395

IUPACN-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESCOC1CN(c2nnc(CNC3CC3)o2)CC1OC
InChIInChI=1S/C12H20N4O3/c1-17-9-6-16(7-10(9)18-2)12-15-14-11(19-12)5-13-8-3-4-8/h8-10,13H,3-7H2,1-2H3
InChIKeySJINJFPEJGEJCO-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.17
Rot. Bonds6

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

N-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 106967395) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
PubChem CID106967395
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC NameN-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESCOC1CN(c2nnc(CNC3CC3)o2)CC1OC
InChIInChI=1S/C12H20N4O3/c1-17-9-6-16(7-10(9)18-2)12-15-14-11(19-12)5-13-8-3-4-8/h8-10,13H,3-7H2,1-2H3
InChIKeySJINJFPEJGEJCO-UHFFFAOYSA-N
XLogP0.17
TPSA72.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106963915
N-[[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106960974
1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 106967817
N-[[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106962402
N-[[5-(2,3,5-trimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106965446
N-[[5-(7,7-dimethyl-1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 107460430
1-[5-(3,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 106962753
N-[[5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106967827
N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106969451
N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106965695
N-[[5-(3-methoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106967372
5-[(cyclopropylamino)methyl]-N,N-dimethyl-1,3,4-oxadiazol-2-amine
CID 82468411

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (CID 106967395) is N-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is COC1CN(c2nnc(CNC3CC3)o2)CC1OC.
What is the InChIKey of N-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is SJINJFPEJGEJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-17-9-6-16(7-10(9)18-2)12-15-14-11(19-12)5-13-8-3-4-8/h8-10,13H,3-7H2,1-2H3.
What are the key properties of N-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 268.32 g/mol, XLogP of 0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106967395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).