methyl 2-[(1S)-1-(2,2-dimethylpropanoylamino)-2-hydroxyethyl]-1,3-oxazole-4-carboxylate

C12H18N2O5 — CID 77059054

IUPACmethyl 2-[(1S)-1-(2,2-dimethylpropanoylamino)-2-hydroxyethyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc([C@H](CO)NC(=O)C(C)(C)C)n1
InChIInChI=1S/C12H18N2O5/c1-12(2,3)11(17)14-7(5-15)9-13-8(6-19-9)10(16)18-4/h6-7,15H,5H2,1-4H3,(H,14,17)/t7-/m0/s1
InChIKeyPHFVLKFIBVHYFY-ZETCQYMHSA-N
MW270.28 g/mol
LogP0.66
Rot. Bonds4

About methyl 2-[(1S)-1-(2,2-dimethylpropanoylamino)-2-hydroxyethyl]-1,3-oxazole-4-carboxylate

methyl 2-[(1S)-1-(2,2-dimethylpropanoylamino)-2-hydroxyethyl]-1,3-oxazole-4-carboxylate (PubChem CID 77059054) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is methyl 2-[(1S)-1-(2,2-dimethylpropanoylamino)-2-hydroxyethyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1S)-1-(2,2-dimethylpropanoylamino)-2-hydroxyethyl]-1,3-oxazole-4-carboxylate
PubChem CID77059054
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Namemethyl 2-[(1S)-1-(2,2-dimethylpropanoylamino)-2-hydroxyethyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc([C@H](CO)NC(=O)C(C)(C)C)n1
InChIInChI=1S/C12H18N2O5/c1-12(2,3)11(17)14-7(5-15)9-13-8(6-19-9)10(16)18-4/h6-7,15H,5H2,1-4H3,(H,14,17)/t7-/m0/s1
InChIKeyPHFVLKFIBVHYFY-ZETCQYMHSA-N
XLogP0.66
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(1S)-1-(2,2-dimethylpropanoylamino)-2-hydroxyethyl]-1,3-oxazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1S)-1-(2,2-dimethylpropanoylamino)-2-hydroxyethyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[(1S)-1-(2,2-dimethylpropanoylamino)-2-hydroxyethyl]-1,3-oxazole-4-carboxylate (CID 77059054) is methyl 2-[(1S)-1-(2,2-dimethylpropanoylamino)-2-hydroxyethyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(1S)-1-(2,2-dimethylpropanoylamino)-2-hydroxyethyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[(1S)-1-(2,2-dimethylpropanoylamino)-2-hydroxyethyl]-1,3-oxazole-4-carboxylate is COC(=O)c1coc([C@H](CO)NC(=O)C(C)(C)C)n1.
What is the InChIKey of methyl 2-[(1S)-1-(2,2-dimethylpropanoylamino)-2-hydroxyethyl]-1,3-oxazole-4-carboxylate?
The InChIKey is PHFVLKFIBVHYFY-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-12(2,3)11(17)14-7(5-15)9-13-8(6-19-9)10(16)18-4/h6-7,15H,5H2,1-4H3,(H,14,17)/t7-/m0/s1.
What are the key properties of methyl 2-[(1S)-1-(2,2-dimethylpropanoylamino)-2-hydroxyethyl]-1,3-oxazole-4-carboxylate?
methyl 2-[(1S)-1-(2,2-dimethylpropanoylamino)-2-hydroxyethyl]-1,3-oxazole-4-carboxylate has a molecular weight of 270.28 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1S)-1-(2,2-dimethylpropanoylamino)-2-hydroxyethyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 77059054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).