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

C10H15N3O3 — CID 106401702

IUPACethyl 2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]prop-2-enoate
SMILESC=C(CNCc1noc(C)n1)C(=O)OCC
InChIInChI=1S/C10H15N3O3/c1-4-15-10(14)7(2)5-11-6-9-12-8(3)16-13-9/h11H,2,4-6H2,1,3H3
InChIKeyUCALQOPZVKGWQZ-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.59
Rot. Bonds6

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

ethyl 2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]prop-2-enoate (PubChem CID 106401702) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is ethyl 2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]prop-2-enoate
PubChem CID106401702
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Nameethyl 2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]prop-2-enoate
SMILESC=C(CNCc1noc(C)n1)C(=O)OCC
InChIInChI=1S/C10H15N3O3/c1-4-15-10(14)7(2)5-11-6-9-12-8(3)16-13-9/h11H,2,4-6H2,1,3H3
InChIKeyUCALQOPZVKGWQZ-UHFFFAOYSA-N
XLogP0.59
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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

[3-(1,2,4-Oxadiazol-3-ylmethylamino)-3-oxopropyl] 2-methylprop-2-enoate
CID 178076792
Ethyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoate
CID 61972701
2-[[(3-Methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]prop-2-enoic acid
CID 103241460
Ethyl 2-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]prop-2-enoate
CID 103241484
Methyl 2-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]but-2-enoate
CID 103241489
Methyl 2-methyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]but-2-enoate
CID 103728205
Ethyl 2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoate
CID 106397959
ethyl (E)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]but-2-enoate
CID 106398016
Methyl 2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]but-2-enoate
CID 106401657
2-[[(5-Methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]prop-2-enoic acid
CID 106401664
Ethyl 2-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]prop-2-enoate
CID 106401832
Ethyl 2-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]prop-2-enoate
CID 106401959

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]prop-2-enoate (CID 106401702) is ethyl 2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]prop-2-enoate is C=C(CNCc1noc(C)n1)C(=O)OCC.
What is the InChIKey of ethyl 2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]prop-2-enoate?
The InChIKey is UCALQOPZVKGWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-4-15-10(14)7(2)5-11-6-9-12-8(3)16-13-9/h11H,2,4-6H2,1,3H3.
What are the key properties of ethyl 2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]prop-2-enoate?
ethyl 2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]prop-2-enoate has a molecular weight of 225.25 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]prop-2-enoate is sourced from PubChem (CID 106401702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).