methyl 2-[(1S)-2-hydroxy-1-(oxan-4-ylamino)ethyl]-1,3-oxazole-4-carboxylate

C12H18N2O5 — CID 77059052

IUPACmethyl 2-[(1S)-2-hydroxy-1-(oxan-4-ylamino)ethyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc([C@H](CO)NC2CCOCC2)n1
InChIInChI=1S/C12H18N2O5/c1-17-12(16)10-7-19-11(14-10)9(6-15)13-8-2-4-18-5-3-8/h7-9,13,15H,2-6H2,1H3/t9-/m0/s1
InChIKeyNTVUKUUZNZRSKG-VIFPVBQESA-N
MW270.28 g/mol
LogP0.26
Rot. Bonds5

About methyl 2-[(1S)-2-hydroxy-1-(oxan-4-ylamino)ethyl]-1,3-oxazole-4-carboxylate

methyl 2-[(1S)-2-hydroxy-1-(oxan-4-ylamino)ethyl]-1,3-oxazole-4-carboxylate (PubChem CID 77059052) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is methyl 2-[(1S)-2-hydroxy-1-(oxan-4-ylamino)ethyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1S)-2-hydroxy-1-(oxan-4-ylamino)ethyl]-1,3-oxazole-4-carboxylate
PubChem CID77059052
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Namemethyl 2-[(1S)-2-hydroxy-1-(oxan-4-ylamino)ethyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc([C@H](CO)NC2CCOCC2)n1
InChIInChI=1S/C12H18N2O5/c1-17-12(16)10-7-19-11(14-10)9(6-15)13-8-2-4-18-5-3-8/h7-9,13,15H,2-6H2,1H3/t9-/m0/s1
InChIKeyNTVUKUUZNZRSKG-VIFPVBQESA-N
XLogP0.26
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(1S)-2-hydroxy-1-(oxan-4-ylamino)ethyl]-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)-2-hydroxy-1-(oxan-4-ylamino)ethyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[(1S)-2-hydroxy-1-(oxan-4-ylamino)ethyl]-1,3-oxazole-4-carboxylate (CID 77059052) is methyl 2-[(1S)-2-hydroxy-1-(oxan-4-ylamino)ethyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(1S)-2-hydroxy-1-(oxan-4-ylamino)ethyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[(1S)-2-hydroxy-1-(oxan-4-ylamino)ethyl]-1,3-oxazole-4-carboxylate is COC(=O)c1coc([C@H](CO)NC2CCOCC2)n1.
What is the InChIKey of methyl 2-[(1S)-2-hydroxy-1-(oxan-4-ylamino)ethyl]-1,3-oxazole-4-carboxylate?
The InChIKey is NTVUKUUZNZRSKG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N2O5/c1-17-12(16)10-7-19-11(14-10)9(6-15)13-8-2-4-18-5-3-8/h7-9,13,15H,2-6H2,1H3/t9-/m0/s1.
What are the key properties of methyl 2-[(1S)-2-hydroxy-1-(oxan-4-ylamino)ethyl]-1,3-oxazole-4-carboxylate?
methyl 2-[(1S)-2-hydroxy-1-(oxan-4-ylamino)ethyl]-1,3-oxazole-4-carboxylate has a molecular weight of 270.28 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1S)-2-hydroxy-1-(oxan-4-ylamino)ethyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 77059052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).