methyl (E)-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]prop-2-enoate

C11H16N2O3 — CID 103255492

IUPACmethyl (E)-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]prop-2-enoate
SMILESCOC(=O)/C=C/NC(C)c1c(C)noc1C
InChIInChI=1S/C11H16N2O3/c1-7(12-6-5-10(14)15-4)11-8(2)13-16-9(11)3/h5-7,12H,1-4H3/b6-5+
InChIKeyNWBRNKYXPRILOG-AATRIKPKSA-N
MW224.26 g/mol
LogP1.63
Rot. Bonds4

About methyl (E)-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]prop-2-enoate

methyl (E)-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]prop-2-enoate (PubChem CID 103255492) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl (E)-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]prop-2-enoate
PubChem CID103255492
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Namemethyl (E)-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]prop-2-enoate
SMILESCOC(=O)/C=C/NC(C)c1c(C)noc1C
InChIInChI=1S/C11H16N2O3/c1-7(12-6-5-10(14)15-4)11-8(2)13-16-9(11)3/h5-7,12H,1-4H3/b6-5+
InChIKeyNWBRNKYXPRILOG-AATRIKPKSA-N
XLogP1.63
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (E)-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]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

methyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]butanoate
CID 115353489
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea
CID 115626660
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybutan-2-amine
CID 115720129
methyl 2-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
CID 131448183
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-difluoroacetamide
CID 103515802
methyl 5-amino-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzoate
CID 79231115
2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxypropanamide
CID 81102218
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxy-3-methylbutan-2-amine
CID 114228241
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N,N-diethylpropanamide
CID 78961648
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxypentanamide
CID 79237770
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N,N-dimethylacetamide
CID 79242240
3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propanamide
CID 79237007

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]prop-2-enoate?
The IUPAC name of methyl (E)-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]prop-2-enoate (CID 103255492) is methyl (E)-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]prop-2-enoate is COC(=O)/C=C/NC(C)c1c(C)noc1C.
What is the InChIKey of methyl (E)-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]prop-2-enoate?
The InChIKey is NWBRNKYXPRILOG-AATRIKPKSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7(12-6-5-10(14)15-4)11-8(2)13-16-9(11)3/h5-7,12H,1-4H3/b6-5+.
What are the key properties of methyl (E)-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]prop-2-enoate?
methyl (E)-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]prop-2-enoate has a molecular weight of 224.26 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]prop-2-enoate is sourced from PubChem (CID 103255492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).