N-[[5-(3-methoxypropoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine

C12H20N2O3 — CID 62440537

IUPACN-[[5-(3-methoxypropoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESCOCCCOCc1cc(CNC2CC2)no1
InChIInChI=1S/C12H20N2O3/c1-15-5-2-6-16-9-12-7-11(14-17-12)8-13-10-3-4-10/h7,10,13H,2-6,8-9H2,1H3
InChIKeyGFBAJKBEDPPOEE-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.48
Rot. Bonds9

About N-[[5-(3-methoxypropoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine

N-[[5-(3-methoxypropoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine (PubChem CID 62440537) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-[[5-(3-methoxypropoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3-methoxypropoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
PubChem CID62440537
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC NameN-[[5-(3-methoxypropoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESCOCCCOCc1cc(CNC2CC2)no1
InChIInChI=1S/C12H20N2O3/c1-15-5-2-6-16-9-12-7-11(14-17-12)8-13-10-3-4-10/h7,10,13H,2-6,8-9H2,1H3
InChIKeyGFBAJKBEDPPOEE-UHFFFAOYSA-N
XLogP1.48
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[5-(3-methoxypropoxymethyl)-1,2-oxazol-3-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-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 103180982
N-[[5-(2-butoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62457342
N-[[5-(4,4,4-trifluorobutoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 82792305
N-[[5-[[ethyl(2-methoxyethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55072609
N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 103181090
3-(3-methoxypropoxymethyl)-5-[2-[3-(5-methyl-1,2-oxazol-3-yl)propoxy]ethoxymethyl]-1,2-oxazole
CID 135279212
N-[[4-(3-methoxypropoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62442824
N-[[5-[(2-bromophenyl)methoxymethyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 82826186
N-[[5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62429429
N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106719785
N-[[5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 79783252
N-[4-[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]butyl]cyclopropanamine
CID 66322123

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxypropoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3-methoxypropoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine (CID 62440537) is N-[[5-(3-methoxypropoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3-methoxypropoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3-methoxypropoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine is COCCCOCc1cc(CNC2CC2)no1.
What is the InChIKey of N-[[5-(3-methoxypropoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The InChIKey is GFBAJKBEDPPOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-15-5-2-6-16-9-12-7-11(14-17-12)8-13-10-3-4-10/h7,10,13H,2-6,8-9H2,1H3.
What are the key properties of N-[[5-(3-methoxypropoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine?
N-[[5-(3-methoxypropoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine has a molecular weight of 240.30 g/mol, XLogP of 1.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxypropoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62440537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).