ethyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate

C12H19N3O3 — CID 62013173

IUPACethyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate
SMILESCCOC(=O)CCN(C)Cc1noc(C2CC2)n1
InChIInChI=1S/C12H19N3O3/c1-3-17-11(16)6-7-15(2)8-10-13-12(18-14-10)9-4-5-9/h9H,3-8H2,1-2H3
InChIKeyJKDSUPBITZMSET-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.33
Rot. Bonds7

About ethyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate

ethyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate (PubChem CID 62013173) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate
PubChem CID62013173
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Nameethyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate
SMILESCCOC(=O)CCN(C)Cc1noc(C2CC2)n1
InChIInChI=1S/C12H19N3O3/c1-3-17-11(16)6-7-15(2)8-10-13-12(18-14-10)9-4-5-9/h9H,3-8H2,1-2H3
InChIKeyJKDSUPBITZMSET-UHFFFAOYSA-N
XLogP1.33
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate 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

methyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate
CID 62010684
N'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 62687751
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]butanoic acid
CID 55006231
ethyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate
CID 60564844
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-naphthalen-1-ylpropanamide
CID 91834513
methyl 4-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]benzoate
CID 167922337
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoic acid
CID 62638502
3-[tert-butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid
CID 61495057
2-[butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 61360390
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-1,2,4-oxadiazole
CID 167874709
ethyl 5-cyclopentyl-1,2,4-oxadiazole-3-carboxylate
CID 63379547
4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 60812048

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate?
The IUPAC name of ethyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate (CID 62013173) is ethyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate.
What is the SMILES notation for ethyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate?
The canonical SMILES for ethyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate is CCOC(=O)CCN(C)Cc1noc(C2CC2)n1.
What is the InChIKey of ethyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate?
The InChIKey is JKDSUPBITZMSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-17-11(16)6-7-15(2)8-10-13-12(18-14-10)9-4-5-9/h9H,3-8H2,1-2H3.
What are the key properties of ethyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate?
ethyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate has a molecular weight of 253.30 g/mol, XLogP of 1.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate is sourced from PubChem (CID 62013173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).