methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-(2-methoxyethyl)amino]propanoate

C13H20N2O5 — CID 79026392

IUPACmethyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)c1oc(C)nc1C
InChIInChI=1S/C13H20N2O5/c1-9-12(20-10(2)14-9)13(17)15(7-8-18-3)6-5-11(16)19-4/h5-8H2,1-4H3
InChIKeyPMARWMQIHBCQIM-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.94
Rot. Bonds7

About methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-(2-methoxyethyl)amino]propanoate

methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-(2-methoxyethyl)amino]propanoate (PubChem CID 79026392) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-(2-methoxyethyl)amino]propanoate
PubChem CID79026392
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Namemethyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)c1oc(C)nc1C
InChIInChI=1S/C13H20N2O5/c1-9-12(20-10(2)14-9)13(17)15(7-8-18-3)6-5-11(16)19-4/h5-8H2,1-4H3
InChIKeyPMARWMQIHBCQIM-UHFFFAOYSA-N
XLogP0.94
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-(2-methoxyethyl)amino]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-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate
CID 79026371
methyl 3-[2-methoxyethyl-(3-methylfuran-2-carbonyl)amino]propanoate
CID 78959326
N,N-diethyl-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026164
3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119190582
N-(2-methoxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684796
methyl 3-[2-methoxyethyl-(4-methylthiadiazole-5-carbonyl)amino]propanoate
CID 113330616
methyl 3-[(3,5-dimethylbenzoyl)-(2-methoxyethyl)amino]propanoate
CID 78959076
methyl 3-[(2,6-dichloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78959056
methyl 3-[(2,6-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate
CID 107689507
methyl 3-[(6-chloropyridine-2-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78958864
methyl 3-[2-methoxyethyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoate
CID 78959151
methyl 3-[(4-aminobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 115532929

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-(2-methoxyethyl)amino]propanoate (CID 79026392) is methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-(2-methoxyethyl)amino]propanoate is COCCN(CCC(=O)OC)C(=O)c1oc(C)nc1C.
What is the InChIKey of methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-(2-methoxyethyl)amino]propanoate?
The InChIKey is PMARWMQIHBCQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-9-12(20-10(2)14-9)13(17)15(7-8-18-3)6-5-11(16)19-4/h5-8H2,1-4H3.
What are the key properties of methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-(2-methoxyethyl)amino]propanoate?
methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-(2-methoxyethyl)amino]propanoate has a molecular weight of 284.31 g/mol, XLogP of 0.94, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 79026392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).