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

C10H14N2O4 — CID 79026371

IUPACmethyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1oc(C)nc1C
InChIInChI=1S/C10H14N2O4/c1-6-9(16-7(2)12-6)10(14)11-5-4-8(13)15-3/h4-5H2,1-3H3,(H,11,14)
InChIKeyNPZTXURLFCTJFS-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.58
Rot. Bonds4

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

methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate (PubChem CID 79026371) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate
PubChem CID79026371
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Namemethyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1oc(C)nc1C
InChIInChI=1S/C10H14N2O4/c1-6-9(16-7(2)12-6)10(14)11-5-4-8(13)15-3/h4-5H2,1-3H3,(H,11,14)
InChIKeyNPZTXURLFCTJFS-UHFFFAOYSA-N
XLogP0.58
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate
CID 79179747
N-(2-methoxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684796
4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
CID 81364652
N-(5-hydroxypentyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 107318424
methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 79026392
methyl 2-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]-2-ethylbutanoate
CID 166180491
N-[3-(2-hydroxyethoxy)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 113365344
N-(2-chloropropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114296555
2,4-dimethyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide
CID 110684821
N-[2-(4-hydroxyphenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79880788
2,4-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-5-carboxamide
CID 110684800
(2S)-3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833856

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate (CID 79026371) is methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate is COC(=O)CCNC(=O)c1oc(C)nc1C.
What is the InChIKey of methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate?
The InChIKey is NPZTXURLFCTJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-6-9(16-7(2)12-6)10(14)11-5-4-8(13)15-3/h4-5H2,1-3H3,(H,11,14).
What are the key properties of methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate?
methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate has a molecular weight of 226.23 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate is sourced from PubChem (CID 79026371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).