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

C11H16N2O4 — CID 79179747

IUPACethyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1oc(C)nc1C
InChIInChI=1S/C11H16N2O4/c1-4-16-9(14)5-6-12-11(15)10-7(2)13-8(3)17-10/h4-6H2,1-3H3,(H,12,15)
InChIKeySNGXLCSZWXSTAA-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.97
Rot. Bonds5

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

ethyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate (PubChem CID 79179747) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate
PubChem CID79179747
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Nameethyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1oc(C)nc1C
InChIInChI=1S/C11H16N2O4/c1-4-16-9(14)5-6-12-11(15)10-7(2)13-8(3)17-10/h4-6H2,1-3H3,(H,12,15)
InChIKeySNGXLCSZWXSTAA-UHFFFAOYSA-N
XLogP0.97
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate
CID 79026371
N-(2-methoxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684796
N-(5-hydroxypentyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 107318424
N-[3-(2-hydroxyethoxy)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 113365344
methyl 2-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]-2-ethylbutanoate
CID 166180491
ethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoate
CID 7113437
2,4-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-5-carboxamide
CID 110684800
N-[2-(4-hydroxyphenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79880788
ethyl 2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-propan-2-ylamino]acetate
CID 79208593
N-[(2R)-2-(ethylamino)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 120651676
N-(3-bromo-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114313428
ethyl 3-(2-propylpentanoylamino)propanoate
CID 23363631

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate?
The IUPAC name of ethyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate (CID 79179747) is ethyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate is CCOC(=O)CCNC(=O)c1oc(C)nc1C.
What is the InChIKey of ethyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate?
The InChIKey is SNGXLCSZWXSTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-4-16-9(14)5-6-12-11(15)10-7(2)13-8(3)17-10/h4-6H2,1-3H3,(H,12,15).
What are the key properties of ethyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate?
ethyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate has a molecular weight of 240.26 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate is sourced from PubChem (CID 79179747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).